![C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidi] (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) phosphoramidi] (ACI) Sary nasongadina](https://www.csnvchem.com/uploads/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) phosphoramidi] (ACI)
CAS rejistra laharana
163759-94-2
| Toetra ara-batana fototra | sarobidy | toe-javatra |
| Lanja molekiola | 922.01 | - |
| pKa (voavinavina) | 8.59±0.40 | Mafana asidra indrindra: 25 °C |
Canonical SMILES
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
SMILES Isomerique
C(OC[C@@H]1[C@@H](OP(N(C(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
InChI Key
FLIGVMLIIDVDSN-GICDFOIUSA-N
26 Anarana hafa ho an'ity akora ity
Cytidine,N-benzoyl-5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)- 5-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl) phosphoramide] (9CI); 12: PN: WO03084478 PEJY: 57 milaza ADN; 14: PN: US20030170636 PEJY: 17 milaza ADN; 15: PN: NY
S20030211606 PEJY: 19 milaza ADN; 15: PN: US20030212017 PEJY: 19 milaza ADN; 16: PN: US20040005569 PEJY: 22 milaza ADN; 17: PN: US20040006030 PEJY: 23 milaza ADN; 17: PN: US20040014049 PEJY: 20 milaza ADN; 18: PN: US20040014047 PAG E: 20 milaza ADN; 18: PN: US20040014048 PEJY: 20 milaza ADN; 18: PN: US20040014050 PEJY: 20 milaza ADN; 19: PN: NY
S20030171313 PEJY: 9 milaza ADN; 19: PN: US20030198965 PEJY: 20 milaza ADN; 19: PN: US20040005565 PEJY: 17- 22 milaza ADN; 19: PN: US20040005570 PEJY: 20 milaza ADN; 19: PN: US20040014051 PEJY: 22 milaza ADN; 20: PN: US20040014699 PAG
E: 20 milaza ADN; 21: PN: US20040006029 PEJY: 23 milaza ADN; 21: PN: WO03106645 PEJY: 72 milaza ADN; 61: PN: US20030
166592 PEJY: 15 milaza ADN; 7: PN: WO2005006958 PEJY: 62 milaza ADN; 84: PN: US20040171566 PEJY: 18 milaza fa ADN; 92:
PN: US20040005707 PEJY: 20 milaza ADN; 9: PN: WO2005007825 PEJY: 62 milaza ADN;N4-benzoyl-2′-O-methoxyethyl-5-O- dimethoxytrityl-5-methylcytidine-3′ -phosphoramidite;N4-benzoyl-2′-O-methoxyethyl-5′-O-dimethoxytrityl-5-methylcytidine-3′ - amidita
Spectra misy
13 C NMR
Hetero NMR
Properties misy
niteraka
simika
Lipinski
Structure Related
| NY FANANANA | sarobidy | toe-javatra | Source |
| Bioconcentration Factor | 171 | pH 1; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1250 | pH 2; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 47600 | pH 3; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 6.44 x 105 | pH 4; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 5; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 6; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 7; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 7.79 x 105 | pH 8; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1,63 x 105 | pH 9; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 30800 | pH 10; Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 106 | pH 1; Mafana: 25 °C | (1) ACD |
| Koc | 773 | pH 2; Mafana: 25 °C | (1) ACD |
| Koc | 29500 | pH 3; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 3.99 x 105 | pH 4; Mafana: 25 °C | (1) ACD |
| Koc | 8.02 x 105 | pH 5; Mafana: 25 °C | (1) ACD |
| Koc | 8.70 x 105 | pH 6; Mafana: 25 °C | (1) ACD |
| Koc | 8.16 x 105 | pH 7; Mafana: 25 °C | (1) ACD |
| Koc | 4.83 x 105 | pH 8; Mafana: 25 °C | (1) ACD |
| Koc | 1.01 x 105 | pH 9; Mafana: 25 °C | (1) ACD |
| Koc | 19100 | pH 10; Mafana: 25 °C | (1) ACD |
| logD | 4.48 | pH 1; Mafana: 25 °C | (1) ACD |
| logD | 5.34 | pH 2; Mafana: 25 °C | (1) ACD |
| logD | 6.92 | pH 3; Mafana: 25 °C | (1) ACD |
| logD | 8.06 | pH 4; Mafana: 25 °C | (1) ACD |
| logD | 8.36 | pH 5; Mafana: 25 °C | (1) ACD |
| logD | 8.39 | pH 6; Mafana: 25 °C | (1) ACD |
| logD | 8.37 | pH 7; Mafana: 25 °C | (1) ACD |
| logD | 8.14 | pH 8; Mafana: 25 °C | (1) ACD |
| logD | 7.46 | pH 9; Mafana: 25 °C | (1) ACD |
| logD | 6.73 | pH 10; Mafana: 25 °C | (1) ACD |
| logP | 8.401±0.723 | Mafana: 25 °C | (1) ACD |
| Faobe Intrinsic Solubility | 1,4 x 10-4 g/L | Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,1 g/L | pH 1; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,16 g/L | pH 2; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 4,1 x 10-3 g/L | pH 3; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,0 x 10-4 g/L | pH 4; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,5 x 10-4 g/L | pH 5; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,4 x 10-4 g/L | pH 6; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,5 x 10-4 g/L | pH 7; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 2,5 x 10-4 g/L | pH 8; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,2 x 10-3 g/L | pH 9; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 6,3 x 10-3 g/L | pH 10; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,5 x 10-4 g/L | Rano tsy voaaro pH 6.97; Mafana: 25 °C | (1) ACD |
| Molar intrinsic solubility | 1,5 x 10-7 mol/L | Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,2 x 10-3 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Molar Solubility | 1,7 x 10-4 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 4,4 x 10-6 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 3,2 x 10-7 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,6 x 10-7 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,5 x 10-7 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,6 x 10-7 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,7 x 10-7 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,3 x 10-6 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 6,8 x 10-6 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,6 x 10-7 mol/L | Rano tsy voaaro pH 6.97; Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 922.01 | ||
| pKa | 8.59±0.40 | Mafana asidra indrindra: 25 °C | (1) ACD |
| pKa | 3.87±0.20 | Ny mari-pana fototra indrindra: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| NY FANANANA | sarobidy | toe-javatra | Source |
| Fatorana azo ahodina malalaka | 22 | (1) ACD | |
| H Acceptors | 15 | (1) ACD | |
| H Mpanome | 1 | (1) ACD | |
| H Donor/Acceptor Sum | 16 | (1) ACD | |
| logP | 8.401±0.723 | Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 922.01 |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| NY FANANANA | sarobidy | Loharanon'ny toe-javatra |
| Faritra ambonin'ny polar | 176 A2 | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra misy
1 H NMR
13 C NMR
![C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidita] (ACI)](https://www.csnvchem.com/uploads/C48H54N7O8P-300x300.png)
![C41H49FN5O8P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – deoxy-2′ -fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphor amidite] (ACI)](https://www.csnvchem.com/uploads/C41H49FN5O8P-Cytidine-300x300.png)
![C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramide] (ACI)](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine-300x300.png)
![C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N, N-bis(1-methyl ethyl)phosphoramidite] (ACI)](https://www.csnvchem.com/uploads/C44H53FN7O8-300x300.png)
![C47H60N7O10P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2- methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N ,N-bis (1-methylethyl)phosphoramidite] (ACI)](https://www.csnvchem.com/uploads/C47H60N7O10P-Guanosine-300x300.png)
![C47H51FN7O7P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – deoxy-2′ -fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphor amidite] (ACI)](https://www.csnvchem.com/uploads/C47H51FN7O7P-Adenosine-300x300.png)