![C41H43N3O9 Cítidín, N-beinsóil-5′-O-[bis(4-meatocsafeinil)feinilmeitil]-2′-O-(2-meatocsaeitile)-5-meitil- (9CI, ACI) H335, H319, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3O9 Cítidín, N-beinsóil-5′-O-[bis(4-meatocsafeinil)feinilmeitil]-2′-O-(2-meatocsaeitile)-5-meitil- (9CI, ACI) H335, H319, H315 Íomhá Réadmhaoin](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cítidín, N-beinsóil-5′-O-[bis(4-meatocsafeinil)feinilmeitil]-2′-O-(2-meatocsaeitile)-5-meitil- (9CI, ACI) H335, H319, H315
| Príomhairíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 721.80 | - |
| Pointe Leá (Turgnamhach) | 107-110°C | - |
| Dlús (Tuartha) | 1.26±0.1 g/cm3 | Teocht: 20 °C; Brú: 760 Torr |
| pKa (Tuartha) | 8.60±0.40 | Teocht is Aigéadaí: 25 °C |
AOIBHÍ Canónacha O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3OCCOC)C
Gáirí Isiméireacha
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(NC(=O)C3=CC=CC=C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5) C6=CC=CC=C6
InChI
InChI=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11 -7-5-8-12-28)39-36(51-24-23-48-2)35(45)34(53-39)26-52-41(29-13
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18-31/u5-22,25,34-36,39,45U,23-24,26U2,1-4U3,(U,42,43,46,47)/t34-,3 5-,36-,39-/m1/s1
Eochair InChI
BYSCLUAIKFEFAH-LZURGKRNSA-N
23 Ainm Eile don tSubstaint seo
N-Beinsóil-5′-O-[bis(4-meatocsafeinil)feinilmeitil]-2′-O-(2-meatocsaeitile)-5-meitilcítídín (ACI); 10: Uimhir aitheantais: WO03084478 LEATHANACH: 57 RNA éilithe; 12: Uimhir aitheantais: US20030170636 LEATHANACH: 17 éilithe R NA; 13: Uimhir aitheantais: US20030212017 LEATHANACH: 19 éilithe R NA; 14: Uimhir aitheantais: US20030
211606 LEATHANACH: 19 éilithe R NA; 15: PN: US20040005569 LEATHANACH: 22 éilithe R NA; 16: PN: US20040006030 LEATHANACH: 22 éilithe R NA; 16: PN: US20040014048 LEATHANACH: 20 éilithe R NA; 17: PN: US20030171313 LEATHANACH: 9 éilithe R NA; 17: PN: US20040005565 LEATHANACH: 17- 22 éilithe RNA; 17: PN: US20040005570 LEATHANACH: 20 éilithe R NA; 17: PN: US20040014047 LEATHANACH: 20 éilithe R NA; 17: Uimhir aitheantais: US20040 014050 LEATHANACH: 20 éilithe R NA; 18: Uimhir aitheantais: US20030198965 LEATHANACH: 19 éilithe R NA; 18: Uimhir aitheantais: US20040014699 LEATHANACH: 20 éilithe R NA; 19: Uimhir aitheantais: US20040006029 LEATHANACH: 23 éilithe R NA; 19: Uimhir aitheantais: WO03106645 LEATHANACH: 71 éilithe R NA; 59: Uimhir aitheantais: US20030166592 LEATHANACH: 15 éilithe RNA; 6: Uimhir aitheantais: WO2005006958 LEATHANACH: 62 éilithe R NA; 83: Uimhir aitheantais: US20040171566 LEATHANACH: 18 éilithe R NA; 8: Uimhir aitheantais: WO2005007825
LEATHANACH: 62 éilithe R NA; 90: PN: US20040005707 LEATHANACH: 20 éilithe R NA; N4-Beinsóil-2′-O-meatocsaeitile-5′-O-démeatocsatrítil-5-
meitilcítídín
| Maoine atá ar fáil |
| Teirmeach |
Teirmeach
| Maoin | Luach | Coinníoll | Foinse |
| Pointe Leá | 107-110°C | (1) CAS | |
(1) Penjarla, Srishylam; Núicléasídí, Núicléatídí & Aigéid Núicléacha, (2018), 37(4), 232-247, CAplus
Speictrim atá ar fáil
1H NMR
13C NMR
| Maoine atá ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bith-thiúchana | 291 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 644 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 3690 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 15600 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 23700 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 24800 | pH 6; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bith-thiúchana | 23300 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 14100 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 3010 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 558 | pH 10; Teocht: 25 °C | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimiceach
| Maoin | Luach | Coinníoll | Foinse |
| Koc | 569 | pH 1; Teocht: 25 °C | (1) ACD |
| Koc | 1260 | pH 2; Teocht: 25 °C | (1) ACD |
| Koc | 7210 | pH 3; Teocht: 25 °C | (1) ACD |
| Koc | 30400 | pH 4; Teocht: 25 °C | (1) ACD |
| Koc | 46300 | pH 5; Teocht: 25 °C | (1) ACD |
| Koc | 48500 | pH 6; Teocht: 25 °C | (1) ACD |
| Koc | 45500 | pH 7; Teocht: 25 °C | (1) ACD |
| Koc | 27500 | pH 8; Teocht: 25 °C | (1) ACD |
| Koc | 5890 | pH 9; Teocht: 25 °C | (1) ACD |
| Koc | 1090 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | 4.16 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 4.50 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 5.26 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 5.88 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 6.07 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 6.09 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 6.06 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 5.84 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 5.17 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 4.44 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 6.093±0.720 | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mais | 1.3 x 10-4 g/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.011 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 5.0 x 10-3 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 8.7 x 10-4 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 2.1 x 10-4 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Intuaslagthacht Mais | 1.4 x 10-4 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.3 x 10-4 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.4 x 10-4 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 2.3 x 10-4 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.1 x 10-3 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 5.8 x 10-3 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.4 x 10-4 g/L | Uisce Gan Maolán pH 6.97; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mhólar | 1.8 x 10-7 móil/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.5 x 10-5 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 6.9 x 10-6 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.2 x 10-6 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.9 x 10-7 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.9 x 10-7 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.8 x 10-7 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.9 x 10-7 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 3.2 x 10-7 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.5 x 10-6 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 8.0 x 10-6 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.9 x 10-7 móil/L | Uisce Gan Maolán pH 6.97; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 721.80 | ||
| pKa | 8.60±0.40 | Teocht is Aigéadaí: 25 °C | (1) ACD |
| pKa | 3.87±0.20 | Teocht is Bunúsaí: 25 °C | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dlús
| Maoin | Luach | Coinníoll | Foinse |
| Dlús | 1.26±0.1 g/cm3 | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
| Toirt Mhólach | 572.5±7.0 cm3/mol | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Maoin | Luach | Coinníoll | Foinse |
| Bannaí Rothlach Saor in Aisce | 15 | (1) ACD | |
| Maoin | Luach | Coinníoll | Foinse |
| Glacadóirí H | 12 | (1) ACD | |
| Deontóirí H | 2 | (1) ACD | |
| Suim an Deontóra/Glacadóra H | 14 | (1) ACD | |
| logP | 6.093±0.720 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 721.80 |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Achar Dromchla Polach | 137 A2 | (1) ACD | |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Speictrim atá ar fáil
1H NMR
13C NMR
| Cód | Ráiteas Guaise | Foinse |
| H335 | D’fhéadfadh greannú riospráide a bheith mar thoradh air | Fardal Aicmithe agus Lipéadaithe na Gníomhaireachta Eorpaí Ceimiceán (ECHA) - Aicmiú agus lipéadú fógartha - na fógraí is coitianta, Fardal Aicmithe agus Lipéadaithe na Gníomhaireachta Eorpaí Ceimiceán (ECHA) - Aicmiú agus lipéadú fógartha - na fógraí is tromchúisí |
| H319 | Is cúis le greannú tromchúiseach súl | Fardal Aicmithe agus Lipéadaithe na Gníomhaireachta Eorpaí Ceimiceán (ECHA) - Aicmiú agus lipéadú fógartha - na fógraí is coitianta, Fardal Aicmithe agus Lipéadaithe na Gníomhaireachta Eorpaí Ceimiceán (ECHA) - Aicmiú agus lipéadú fógartha - na fógraí is tromchúisí |
| H315 | Is cúis le greannú craicinn | Fardal Aicmithe agus Lipéadaithe na Gníomhaireachta Eorpaí Ceimiceán (ECHA) - Aicmiú agus lipéadú fógartha - na fógraí is coitianta, Fardal Aicmithe agus Lipéadaithe na Gníomhaireachta Eorpaí Ceimiceán (ECHA) - Aicmiú agus lipéadú fógartha - na fógraí is tromchúisí |
![C39H37N5O7 Adenosine, N-beinsóil-5′-O-[bis(4-meatocsaifeinil)feinilmeitil]-2′-O-meitil- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C39H46FN4O8P Úirídín, 5′-O-[bis(4-meatocsaifeinil)feinilmeitil]-2′-dé-ocsai-2′-fluar-, 3′-[2-cianóeitile N,N-bis(1-meitileitile)fosfaraimídít] (ACI)](https://cdn.globalso.com/nvchem/C39H46FN4O8P-Uridine-300x300.png)
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![C48H54N7O8P Adenosine, N-beinsóil-5′-O-[bis(4-meatocsaifeinil)feinilmeitil]-2′ – O-meitil-, 3′ – [2-cianó-eitile N,N-bis(1-meitileitile)fosfar-aimídít] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P-300x300.png)