![C41H43N3O9 Cítídín, N-benzoyl-5′-O-[bis(4-methocsaifheinile)feanilmheitil]-2′-O- (2-meatocsaitil)-5-meitil- (9CI, ACI) H335, H319, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3O9 Cítídín, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methocsaieitil)-5-meitil- (9CI, ACI) H335, H319, H315 Íomhá Réadmhaoin](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cítídín, N-benzoyl-5′-O-[bis(4-methocsaifheinile)feanilmheitil]-2′-O- (2-meatocsaitil)-5-meitil- (9CI, ACI) H335, H319, H315
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 721. 80 | - |
| Leáphointe (Turgnamhach) | 107-110 °C | - |
| Dlús (Tuartha) | 1.26±0.1 g/cm3 | Teocht: 20 °C;Brúigh: 760 Torr |
| pKa (Tuartha) | 8.60±0.40 | Teocht is Airde: 25 °C |
Canonical SMILES 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
SMILES 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/h5-22 ,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 5-,36-,39-/m1/s1
Eochair InChI
BYSCLUAIKFEFAH-LZURGKRNSA-N
23 Ainmneacha Eile don tSubstaint seo
N-Benzoyl-5′-O-[bis(4-methocsaifeinil)feinilmeitil]-2′-O-(2-methocsaieitil)-5-meitilcítín (ACI);10: PN: WO03084478 LEATHANACH: 57 éileamh RNA;12: PN: US20030170636 LEATHANACH: 17 éileamh R NA;13: PN: US20030212017 LEATHANACH: 19 éileamh R NA;14: PN: US20030
211606 LEATHANACH: 19 éileamh R NA;15: PN: US20040005569 LEATHANACH: 22 éileamh R NA;16: PN: US20040006030 LEATHANACH: 22 éileamh R NA;16: PN: US20040014048 LEATHANACH: 20 éileamh R NA;17: PN: US20030171313 LEATHANACH: 9 éileamh R NA;17: PN: US20040005565 LEATHANACH: 17- 22 éileamh RNA;17: PN: US20040005570 LEATHANACH: 20 éileamh R NA;17: PN: US20040014047 LEATHANACH: 20 éileamh R NA;17: PN: US20040 014050 LEATHANACH: 20 éileamh R NA;18: PN: US20030198965 LEATHANACH: 19 éileamh R NA;18: PN: US20040014699 LEATHANACH: 20 éileamh R NA;19: PN: US20040006029 LEATHANACH: 23 éileamh R NA;19: PN: WO03106645 LEATHANACH: 71 éileamh R NA;59: PN: US20030166592 LEATHANACH: 15 éileamh RNA;6: PN: WO2005006958 LEATHANACH: 62 éileamh R NA;83: PN: US20040171566 LEATHANACH: 18 éileamh R NA;8: PN: WO2005007825
LEATHANACH: 62 éileamh R NA;90: PN: US20040005707 LEATHANACH: 20 éileamh R NA;N4- Benzoyl-2′-O-methocsaieitil-5′-O-dimethocsaitritile-5-
meitilcítín
| Airíonna ar fáil |
| Teirmeach |
Teirmeach
| Maoin | Luach | Coinníoll | Foinse |
| Leáphointe | 107-110 °C | (1) CAS | |
(1) Penjarla, Srishylam;Núicléasídí, Núicléatídí & Aigéid Núicléacha, (2018), 37(4), 232-247, CAplus
Spectra ar fáil
1H NMR
13C NMR
| Airíonna ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 291 | pH 1;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 644 | pH 2;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 3690 | pH 3;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 15600 | pH 4;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 23700 | pH 5;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 24800 | pH 6;Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 23300 | pH 7;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 14100 | pH 8;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 3010 | pH 9;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 558 | pH 10;Teocht: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimiceach
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 569 | pH 1;Teocht: 25 °C | (1) ACD |
| Cóc | 1260 | pH 2;Teocht: 25 °C | (1) ACD |
| Cóc | 7210 | pH 3;Teocht: 25 °C | (1) ACD |
| Cóc | 30400 | pH 4;Teocht: 25 °C | (1) ACD |
| Cóc | 46300 | pH 5;Teocht: 25 °C | (1) ACD |
| Cóc | 48500 | pH 6;Teocht: 25 °C | (1) ACD |
| Cóc | 45500 | pH 7;Teocht: 25 °C | (1) ACD |
| Cóc | 27500 | pH 8;Teocht: 25 °C | (1) ACD |
| Cóc | 5890 | pH 9;Teocht: 25 °C | (1) ACD |
| Cóc | 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 |
| Tuaslagthacht Intreach Aifrinn | 1.3 x 10-4 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.011 g/L | pH 1;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.0 x 10-3 g/L | pH 2;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 8.7 x 10-4 g/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.1 x 10-4 g/L | pH 4;Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Aifreann | 1.4 x 10-4 g/L | pH 5;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.3 x 10-4 g/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.4 x 10-4 g/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.3 x 10-4 g/L | pH 8;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.1 x 10-3 g/L | pH 9;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.8 x 10-3 g/L | pH 10;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.4 x 10-4 g/L | Uisce Neamh-mhaolaithe pH 6.97;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 1.8 x 10-7 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.5 x 10-5 mol/L | pH 1;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 6.9 x 10-6 mol/L | pH 2;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.2 x 10-6 mol/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.9 x 10-7 mol/L | pH 4;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.9 x 10-7 mol/L | pH 5;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.8 x 10-7 mol/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.9 x 10-7 mol/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.2 x 10-7 mol/L | pH 8;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.5 x 10-6 mol/L | pH 9;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 8.0 x 10-6 mol/L | pH 10;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.9 x 10-7 mol/L | Uisce Neamh-mhaolaithe pH 6.97;Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 721. 80 | ||
| pKa | 8.60±0.40 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | 3.87±0.20 | Teocht is Bunúsaí: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dlús
| Maoin | Luach | Coinníoll | Foinse |
| Dlús | 1.26±0.1 g/cm3 | Teocht: 20 °C;Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 572.5±7.0 cm3/mól | Teocht: 20 °C;Brúigh: 760 Torr | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (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 |
| H Glacadóirí | 12 | (1) ACD | |
| H Deontóirí | 2 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 14 | (1) ACD | |
| logP | 6.093±0.720 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 721. 80 |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Achar Dromchla Polar | 137 A2 | (1) ACD | |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ar fáil
1H NMR
13C NMR
| Cód | Ráiteas Guaise | Foinse |
| H335 | D'fhéadfadh sé a bheith ina chúis le greannú riospráide | Fardal Aicmithe agus Lipéadaithe na Gníomhaireachta Eorpaí Ceimiceán (ECHA) - Aicmiú agus lipéadú ar tugadh fógra ina leith - na fógraí is coitianta, An Ghníomhaireacht Eorpach Ceimiceán (ECHA) Fardal Aicmithe agus Lipéadaithe - Aicmiú agus lipéadú ar tugadh fógra ina leith - na fógraí is tromchúisí |
| H319 | Is cúis le greannú súl tromchúiseach | Fardal Aicmithe agus Lipéadaithe na Gníomhaireachta Eorpaí Ceimiceán (ECHA) - Aicmiú agus lipéadú ar tugadh fógra ina leith - na fógraí is coitianta, An Ghníomhaireacht Eorpach Ceimiceán (ECHA) Fardal Aicmithe agus Lipéadaithe - Aicmiú agus lipéadú ar tugadh fógra ina leith - na fógraí is tromchúisí |
| H315 | Is cúis le greannú craicinn | Fardal Aicmithe agus Lipéadaithe na Gníomhaireachta Eorpaí Ceimiceán (ECHA) - Aicmiú agus lipéadú ar tugadh fógra ina leith - na fógraí is coitianta, An Ghníomhaireacht Eorpach Ceimiceán (ECHA) Fardal Aicmithe agus Lipéadaithe - Aicmiú agus lipéadú ar tugadh fógra ina leith - na fógraí is tromchúisí |
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