![C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) ffosfforamidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI) Delwedd dan Sylw](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine.png)
C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) ffosfforamidit] (ACI)
Rhif Cofrestrfa CAS
163759-94-2
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 922.01 | - |
| pKa (Rhagweld) | 8.59±0.40 | Tymheredd Mwyaf Asidig: 25 °C |
GWênau Canonaidd
N# CCCOP(OC1C(OC(N2C=C(C(=NC2=O))NC(=O)C=3C=CC=CC3)C)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C 6)N(C(C)C)C(C)C
GWênau Isomerig
C(OC[C@@H]1[C@H](OP(N(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)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/C50H60N5O10P/c1-34(2)55(35(3)4)66(63-29-15-28-51)65-44-43(33-62-50(38-18-13-10-) 14-19-38,39-20-24-41(59-7)25-21-39 )40-22-26-42(60-8)27-23-40)64-48(45(44)61-31-30-58-6)54-32-36(5 )46(53-49(54)57)52-47(56)37-16-11-9-12-17-37/h9-14,16-27,32,34- 35,43-45,48H,15,29-31,33H2,1-8H3,(H,52,53,56,57)/t43-,44-,45-,48-,66?/m1/s1
Allwedd InChI
FLIGVMLIIDVDSN-GICDFOIUSA-N
26 Enwau Eraill ar y Sylwedd hwn
Cytidine,N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)- 5-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl) phosphoramidite] (9CI); 12: PN: WO03084478 TUDALEN: 57 hawlio DNA; 14: PN: US20030170636 TUDALEN: 17 hawlio DNA; 15: PN: U
S20030211606 TUDALEN: 19 hawlio DNA; 15: PN: US20030212017 TUDALEN: 19 hawlio DNA; 16: PN: US20040005569 TUDALEN: 22 hawlio DNA; 17: PN: US20040006030 TUDALEN: 23 hawlio DNA; 17: PN: US20040014049 TUDALEN: 20 hawlio DNA; 18: PN: US20040014047 PAG E: 20 hawlio DNA; 18: PN: US20040014048 TUDALEN: 20 hawlio DNA; 18: PN: US20040014050 TUDALEN: 20 hawlio DNA; 19: PN: U
S20030171313 TUDALEN: 9 hawlio DNA; 19: PN: US20030198965 TUDALEN: 20 hawlio DNA; 19: PN: US20040005565 TUDALEN: 17- 22 hawlio DNA; 19: PN: US20040005570 TUDALEN: 20 hawlio DNA; 19: PN: US20040014051 TUDALEN: 22 hawlio DNA; 20: PN: US20040014699 PAG
E: 20 yn hawlio DNA; 21: PN: US20040006029 TUDALEN: 23 hawlio DNA; 21: PN: WO03106645 TUDALEN: 72 hawlio DNA; 61: PN: US20030
166592 TUDALEN: 15 yn hawlio DNA; 7: PN: WO2005006958 TUDALEN: 62 hawlio DNA; 84: PN: US20040171566 TUDALEN: 18 hawlio DNA; 92:
PN: US20040005707 TUDALEN: 20 hawlio DNA; 9: PN: WO2005007825 TUDALEN: 62 hawlio DNA;N4-Benzoyl-2′ -O-methoxyethyl-5-O- dimethoxytrityl-5-methylcytidine-3′ -phosphoramidite;N4-Benzoyl-2′ -O-methoxyethyl-5′ -O-dimethoxytrityl-5-methylcytidine-3′ - amidite
Sbectra ar gael
13 C NMR
Hetero NMR
Eiddo ar gael
Biolegol
Cemegol
Lipinski
Strwythur Cysylltiedig
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Bio-ganolbwyntio | 171 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1250 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 47600 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 6.44 x 105 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.00 x 106 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.00 x 106 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.00 x 106 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 7.79 x 105 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.63 x 105 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 30800 | 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)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 106 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Koc | 773 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Koc | 29500 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 3.99 x 105 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Koc | 8.02 x 105 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Koc | 8.70 x 105 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Koc | 8.16 x 105 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Koc | 4.83 x 105 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Koc | 1.01 x 105 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Koc | 19100 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logD | 4.48 | pH 1; Tymheredd: 25 °C | (1) ACD |
| logD | 5.34 | pH 2; Tymheredd: 25 °C | (1) ACD |
| logD | 6.92 | pH 3; Tymheredd: 25 °C | (1) ACD |
| logD | 8.06 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | 8.36 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | 8.39 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | 8.37 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | 8.14 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | 7.46 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | 6.73 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logP | 8.401±0.723 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Torfol | 1.4 x 10-4 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.1 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.16 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.1 x 10-3 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 3.0 x 10-4 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.5 x 10-4 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.4 x 10-4 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.5 x 10-4 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 2.5 x 10-4 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.2 x 10-3 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 6.3 x 10-3 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.5 x 10-4 g/L | Dŵr heb ei glustogi pH 6.97; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid molar | 1.5 x 10-7 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.2 x 10-3 môl/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Molar | 1.7 x 10-4 môl/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 4.4 x 10-6 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.2 x 10-7 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.6 x 10-7 môl/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.5 x 10-7 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.6 x 10-7 môl/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.7 x 10-7 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.3 x 10-6 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 6.8 x 10-6 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.6 x 10-7 môl/L | Dŵr heb ei glustogi pH 6.97; Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 922.01 | ||
| pKa | 8.59±0.40 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | 3.87±0.20 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Bondiau Cylchdroadwy | 22 | (1) ACD | |
| H Derbynwyr | 15 | (1) ACD | |
| H Rhoddwyr | 1 | (1) ACD | |
| H Swm Rhoddwr/Derbynnydd | 16 | (1) ACD | |
| logP | 8.401±0.723 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 922.01 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Ffynhonnell Cyflwr |
| Arwynebedd Pegynol | 176 A2 | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Sbectra ar gael
1 H NMR
13 C NMR
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![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl ) ffosfforamidit] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine-300x300.jpg)