![C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methox yethyl)-5-methyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methox yethyl)-5-methyl- (9CI, ACI) Delwedd dan Sylw](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine.jpg)
C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methox yethyl)-5-methyl- (9CI, ACI)
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 617.69 | - |
| Berwbwynt (Rhagweld) | 762.6 ±70.0 °C | Gwasg: 760 Torr |
| Dwysedd (Rhagweld) | 1.27 ± 0.1 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr |
| pKa (Rhagweld) | 13.31±0.70 | Tymheredd Mwyaf Asidig: 25 °C |
Canonaidd gwenu 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
Isomeric SMILES 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
Allwedd InChI
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Enwau Eraill ar y Sylwedd hwn
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI); 11: PN: US20030170636 TUDALEN: 17 hawlio RNA; 12: PN: US20030211606 TUDALEN: 18 hawlio R NA; 12: PN: US20030212017 TUDALEN: 19 hawlio R NA; 14: PN: US20040005569 PAG E: 21 hawlio R NA; 15: PN: US20040005565 TUDALEN: 17- 22 hawlio RNA; 15: PN: US20040005570 TUDALEN: 19 hawlio R NA; 15: PN: U S20040006030 TUDALEN: 22 hawlio R NA; 15: PN: US20040014048 TUDALEN: 19 hawlio R NA; 16: PN: US20030171313 TUDALEN: 9 hawlio RNA; 16: PN: US20030198965 TUDALEN: 19 hawlio R NA; 16: PN: US20040014047 TUDALEN: 19 hawlio R NA; 16: PN: US20040014049 TUDALEN:
hawliodd 19 RNA; 17: PN: US20040014051 TUDALEN: 21 hawlio R NA; 17: PN: US20040014699 TUDALEN: 19 hawlio R NA; 17: PN: W
O03106645 TUDALEN: 69 hawlio R NA; 18: PN: US20040006029 TUDALEN: 22 hawlio R NA; 2′-O-Methoxyethyl-5′-O-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 TUDALEN: 15 hawlio R NA; 5: PN: WO2005006958 TUDALEN: 61 hawlio R NA; 7: PN: WO20050 07825 TUDALEN: 61 hawlio R NA; 82: PN: US20040171566 TUDALEN: 18 hawlio R NA; 89: PN: US20040005707 TUDALEN: 19 hawlio R NA; 9: PN: WO03084478 TUDALEN: 56 hawlio R NA
| Eiddo ar gael |
| Biolegol |
| Cemegol |
| Dwysedd |
| Lipinski |
| Strwythur Cysylltiedig |
| Thermol |
Biolegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Bio-ganolbwyntio | 1.56 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.99 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 6.19 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 38.0 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 116 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 146 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 150 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 151 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 151 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 151 | pH 10; Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Cemegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 13.0 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Koc | 16.6 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Koc | 51.8 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Koc | 318 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Koc | 966 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Koc | 1220 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Koc | 1260. llarieidd-dra eg | pH 7; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 1260. llarieidd-dra eg | pH 8; Tymheredd: 25 °C | (1) ACD |
| Koc | 1260. llarieidd-dra eg | pH 9; Tymheredd: 25 °C | (1) ACD |
| Koc | 1260. llarieidd-dra eg | pH 10; Tymheredd: 25 °C | (1) ACD |
| logD | 1.18 | pH 1; Tymheredd: 25 °C | (1) ACD |
| logD | 1.29 | pH 2; Tymheredd: 25 °C | (1) ACD |
| logD | 1.78 | pH 3; Tymheredd: 25 °C | (1) ACD |
| logD | 2.57 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | 3.05 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | 3.16 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | 3.17 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | 3.17 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | 3.17 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | 3.17 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logP | 3.169±0.598 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Torfol | 5.2 x 10-3 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.51 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.40 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.13 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.020 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 6.8 x 10-3 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.4 x 10-3 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.3 x 10-3 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.2 x 10-3 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.2 x 10-3 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.2 x 10-3 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.3 x 10-3 g/L | Dŵr heb ei glustogi pH 7.05; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid molar | 8.4 x 10-6 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 8.2 x 10-4 môl/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 6.4 x 10-4 môl/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.1 x 10-4 môl/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.3 x 10-5 môl/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.1 x 10-5 môl/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Molar | 8.7 x 10-6 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 8.5 x 10-6 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 8.4 x 10-6 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 8.4 x 10-6 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 8.4 x 10-6 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 8.5 x 10-6 mol/L | Dŵr heb ei glustogi pH 7.05; Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 617.69 | ||
| pKa | 13.31±0.70 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | 4.58±0.10 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
| Pwysedd Anwedd | 1.89 x 10-24 Torr | Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dwysedd
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Dwysedd | 1.27 ± 0.1 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr | (1) ACD |
| Cyfrol Molar | 483.8±7.0 cm3/mol | Tymheredd: 20 °C; Gwasg: 760 Torr | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Bondiau Cylchdroadwy | 14 | (1) ACD | |
| H Derbynwyr | 11 | (1) ACD | |
| H Rhoddwyr | 3 | (1) ACD | |
| H Swm Rhoddwr/Derbynnydd | 14 | (1) ACD | |
| logP | 3.169±0.598 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 617.69 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Strwythur Cysylltiedig
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Arwynebedd Pegynol | 134 A2 | (1) ACD | |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Thermol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Berwbwynt | 762.6 ±70.0 °C | Gwasg: 760 Torr | (1) ACD |
| Enthalpi o Anweddu | 116.53 ±3.0 kJ/mol | Gwasg: 760 Torr | (1) ACD |
| Pwynt fflach | 415.0±35.7 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Sbectra ar gael
1H NMR
13C NMR
![C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-un, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C9H10N2O5-6H-Furo-300x300.png)
![C40H49N4O9P Wridin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N, N-bis(1-methylethyl)phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C40H49N4O9P-Uridine-300x300.png)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-un, 2-[bis(4-methoxy ffenyl)ffenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo-300x300.jpg)
![C41H49FN5O8P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – deoxy-2′ -fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ffosffor amidite] (ACI)](https://cdn.globalso.com/nvchem/C41H49FN5O8P-Cytidine-300x300.png)
![C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)