![C34H39N3O8 Cítídín, 5′-O-[bis(4-methocsaifeinil)feanilmeitil]-2′-O-(2-meatocsaicéitil)-5-meitil- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C34H39N3O8 Cítídín, 5′-O-[bis(4-methocsaifeinil)feanilmeitil]-2′-O- (2-meatocsaieitile)-5-meitil- (9CI, ACI) Íomhá Réadmhaoin](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine.jpg)
C34H39N3O8 Cítídín, 5′-O-[bis(4-methocsaifeinil)feanilmeitil]-2′-O-(2-meatocsaicéitil)-5-meitil- (9CI, ACI)
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 617.69 | - |
| Fiuchphointe (Tuartha) | 762.6±70.0 °C | Brúigh: 760 Torr |
| Dlús (Tuartha) | 1.27±0.1 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr |
| pKa (Tuartha) | 13.31±0.70 | Teocht is Airde: 25 °C |
Canonical SMILES O=C1N=C(N)C(=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5) C(O)C2OCCOC)C
SMILES isiméireacha C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(N)C(C)=C2 )(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InchI
InChI=1S/C34H39N3O8/c1-22-20-37(33(39)36-31(22)35)32-30(43-19 -18-40-2)29(38)28(45-32)21-44-34(23-8-6-5-7-9-23,24-10-14-26(4 1-3)15-11-24)25-12-16-27(42-4)17-13-25/h5-17,20,28-30,32,38H,18-19,21H2,1- 4H3,(H2,35,36,39)/t28-,29-,30-,32-/m1/s1
Eochair InChI
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Ainmneacha Eile don tSubstaint seo
5′-O-[Bis(4-methocsaifeinil)feanilmeitil]-2′-O-(2-methocsaitile)-5-meitilcítínín (ACI); 11: PN: US20030170636 LEATHANACH: 17 éileamh RNA; 12: PN: US20030211606 LEATHANACH: 18 éileamh R NA; 12: PN: US20030212017 LEATHANACH: 19 éileamh R NA; 14: PN: US20040005569 PAG E: D'éiligh 21 R NA; 15: PN: US20040005565 LEATHANACH: 17- 22 éileamh RNA; 15: PN: US20040005570 LEATHANACH: 19 éileamh R NA; 15: PN: U S20040006030 LEATHANACH: 22 éileamh R NA; 15: PN: US20040014048 LEATHANACH: 19 éileamh R NA; 16: PN: US20030171313 LEATHANACH: 9 éileamh RNA; 16: PN: US20030198965 LEATHANACH: 19 éileamh R NA; 16: PN: US20040014047 LEATHANACH: 19 éileamh R NA; 16: PN: US20040014049 LEATHANACH:
d'éiligh 19 RNA; 17: PN: US20040014051 LEATHANACH: 21 éileamh R NA; 17: PN: US20040014699 LEATHANACH: 19 éileamh R NA; 17: PN: W
O03106645 LEATHANACH: 69 éileamh R NA; 18: PN: US20040006029 LEATHANACH: 22 éileamh R NA; 2′-O-Methoxyethyl-5′-O-dimethoxytrityl-5- meitilcítínín; 58: PN: US20030166592 LEATHANACH: 15 éileamh R NA; 5: PN: WO2005006958 LEATHANACH: 61 éileamh R NA; 7: PN: WO20050 07825 LEATHANACH: 61 éileamh R NA; 82: PN: US20040171566 LEATHANACH: 18 éileamh R NA; 89: PN: US20040005707 LEATHANACH: 19 éileamh R NA; 9: PN: WO03084478 LEATHANACH: 56 éileamh R NA
| Airíonna ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
| Teirmeach |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 1.56 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1. 99 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 6. 19 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 38.0 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 116 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 146 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 150 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 151 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 151 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 151 | 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 |
| Koc | 13.0 | pH 1; Teocht: 25 °C | (1) ACD |
| Koc | 16.6 | pH 2; Teocht: 25 °C | (1) ACD |
| Koc | 51.8 | pH 3; Teocht: 25 °C | (1) ACD |
| Koc | 318 | pH 4; Teocht: 25 °C | (1) ACD |
| Koc | 966 | pH 5; Teocht: 25 °C | (1) ACD |
| Koc | 1220 | pH 6; Teocht: 25 °C | (1) ACD |
| Koc | 1260 | pH 7; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Koc | 1260 | pH 8; Teocht: 25 °C | (1) ACD |
| Koc | 1260 | pH 9; Teocht: 25 °C | (1) ACD |
| Koc | 1260 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | 1. 18 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 1.29 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 1.78 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 2. 57 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 3. 05 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 3.16 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 3.17 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 3.17 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 3.17 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 3.17 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 3.169±0.598 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 5.2 x 10-3 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.51 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.40 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.13 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.020 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 6.8 x 10-3 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.4 x 10-3 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.3 x 10-3 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.2 x 10-3 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.2 x 10-3 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.2 x 10-3 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.3 x 10-3 g/L | Uisce Neamh-mhaolaithe pH 7.05; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 8.4 x 10-6 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 8.2 x 10-4 mol/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 6.4 x 10-4 mol/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.1 x 10-4 mol/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.3 x 10-5 mol/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.1 x 10-5 mol/L | pH 5; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Molar | 8.7 x 10-6 mol/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 8.5 x 10-6 mol/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 8.4 x 10-6 mol/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 8.4 x 10-6 mol/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 8.4 x 10-6 mol/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 8.5 x 10-6 mol/L | Uisce Neamh-mhaolaithe pH 7.05; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 617.69 | ||
| pKa | 13.31±0.70 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | 4.58±0.10 | Teocht is Bunúsaí: 25 °C | (1) ACD |
| Brú Gal | 1.89 x 10-24 Torr | Teocht: 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 | 1.27±0.1 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 483.8±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 | 14 | (1) ACD | |
| H Glacadóirí | 11 | (1) ACD | |
| H Deontóirí | 3 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 14 | (1) ACD | |
| logP | 3.169±0.598 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 617.69 |
(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 | 134 A2 | (1) ACD | |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Teirmeach
| Maoin | Luach | Coinníoll | Foinse |
| Fiuchphointe | 762.6±70.0 °C | Brúigh: 760 Torr | (1) ACD |
| Eantalpacht Vaporization | 116.53±3.0 kJ/mól | Brúigh: 760 Torr | (1) ACD |
| Splancphointe | 415.0±35.7 °C | (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
![C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pirimidin-6-a haon, 2,3,3a,9a-tetrah ydro-3-hiodrocsa-2-(hiodrocsaimeitil)- , (2R,3 R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C9H10N2O5-6H-Furo-300x300.png)
![C40H49N4O9P Uridín, 5′ -O- [bis(4-methocsaifeinil)feanilmeitil]-2′ -O-meitil-, 3′ – [2-cianoethyl N,N-bis(1-meitileitil)fosfaraimít] (ACI)](https://cdn.globalso.com/nvchem/C40H49N4O9P-Uridine-300x300.png)
![C30H28N2O7 6H- Furo[2′,3′:4,5]oxazolo[3,2-a]pirimidin-6-a haon, 2-[[bis(4-methocsa feinil)feanilmethocsa]meitil]-2,3,3a ,9a-teitrihidre-3-hiodrocsa-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo-300x300.jpg)
![C41H49FN5O8P Cítínín, N-aicéitil-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – déocsa-2′ -fluoro-, 3′ – [2-cianoethyl N,N-bis(1-meitileitile) fosfar amaidít] (ACI)](https://cdn.globalso.com/nvchem/C41H49FN5O8P-Cytidine-300x300.png)
![C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-[(1,1-démheitileitil)démheitilsil]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)