C50H60N5O10P Cytidine, N-benzoyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl]-2'-O- (2-methoxyethyl) - 5-methyl-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite] (ACI)
Lambar Rijistar CAS
163759-94-2
Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
Nauyin Kwayoyin Halitta | 922.01 | - |
pKa (An annabta) | 8.59± 0.40 | Mafi yawan zafin jiki: 25 ° C |
MURMUSHI na Canonical
N#CCCOP(OC1C(OC(N2C=C(C(= NC2=O)) NC(=O)C=3C=CC=CC3)C)C1OCCOC =C(OC)C=C5)C6=CC=C(OC)C=C 6)N(C(C)C)C(C)C
MURMUSHI
C(OC[C@H] 1[C@@H](OP(N(C)C)C(C)C)OCCC#N 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(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 Wasu Sunaye na wannan Abu
Cytidine,Nbenzoyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O(2-methoxyethyl) - 5-methyl-, 3'- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI); 12: PN: WO03084478 SHAFI: 57 da'awar DNA; 14: PN: US20030170636 SHAFI: 17 da'awar DNA; 15: PN: ku
S20030211606 SHAFI: 19 da'awar DNA; 15: PN: US20030212017 SHAFI: 19 da'awar DNA; 16: PN: US20040005569 SHAFI: 22 da'awar DNA; 17: PN: US20040006030 SHAFI: 23 da'awar DNA; 17: PN: US20040014049 SHAFI: 20 da'awar DNA; 18: PN: US20040014047 PAG E: 20 da'awar DNA; 18: PN: US20040014048 SHAFI: 20 da'awar DNA; 18: PN: US20040014050 SHAFI: 20 da'awar DNA; 19: PN: ku
S20030171313 SHAFI: 9 da'awar DNA; 19: PN: US20030198965 SHAFI: 20 da'awar DNA; 19: PN: US20040005565 SHAFI: 17- 22 da'awar DNA; 19: PN: US20040005570 SHAFI: 20 da'awar DNA; 19: PN: US20040014051 SHAFI: 22 da'awar DNA; 20: PN: US20040014699 PAG
E: 20 da'awar DNA; 21: PN: US20040006029 SHAFI: 23 da'awar DNA; 21: PN: WO03106645 SHAFI: 72 da'awar DNA; 61: PN: US20030
166592 SHAFI: 15 da'awar DNA; 7: PN: WO2005006958 SHAFI: 62 da'awar DNA; 84: PN: US20040171566 SHAFI: 18 da'awar DNA; 92:
PN: US20040005707 SHAFI: 20 da'awar DNA; 9: PN: WO2005007825 SHAFI: 62 da'awar DNA;N4-Benzoyl-2'-OMethoxyethyl-5-O- dimethoxytrityl-5-methylcytidine-3′-phosphoramite;N4-Benzoyl-2'-OMethoxyethyl-5'-O-dimethoxytrityl-5-methylcytidine-3′- amidite
Spectra akwai
13 C NMR
Farashin NMR
Properties akwai
Halittu
Chemical
Lipinski
Tsarin Yanayi
Dukiya | Daraja | Sharadi | Source |
Factor na Bioconcentration | 171 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1250 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 47600 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 6.44 x 105 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.00 x 106 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.00 x 106 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.00 x 106 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 7.79 x 105 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.63 x 105 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 30800 | pH 10; Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dukiya | Daraja | Sharadi | Source |
Koc | 106 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Koc | 773 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Koc | 29500 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharadi | Source |
Koc | 3.99 x 105 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Koc | 8.02 x 105 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Koc | 8.70 x 105 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Koc | 8.16 x 105 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Koc | 4.83 x 105 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Koc | 1.01 x 105 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Koc | 19100 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logD | 4.48 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
logD | 5.34 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
logD | 6.92 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
logD | 8.06 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
logD | 8.36 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
logD | 8.39 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
logD | 8.37 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
logD | 8.14 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
logD | 7.46 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
logD | 6.73 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logP | 8.401± 0.723 | Zazzabi: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 1.4 x 10-4 g/L | Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.1 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 0.16 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 4.1 x 10-3 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.0 x 10-4 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.5 x 10-4 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.4 x 10-4 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.5 x 10-4 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 2.5 x 10-4 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.2 x 10-3 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 6.3 x 10-3 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.5 x 10-4 g/L | Ruwan da ba a buƙata ba pH 6.97; Zazzabi: 25 ° C | (1) ACD |
Solubility na Ciki na Molar | 1.5 x 10-7 mol/L | Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.2 x 10-3 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharadi | Source |
Solubility na Molar | 1.7 x 10-4 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 4.4 x 10-6 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 3.2 x 10-7 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.6 x 10-7 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.5 x 10-7 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.6 x 10-7 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 2.7 x 10-7 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.3 x 10-6 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 6.8 x 10-6 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.6 x 10-7 mol/L | Ruwan da ba a buƙata ba pH 6.97; Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 922.01 | ||
pKa | 8.59± 0.40 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
pKa | 3.87± 0.20 | Mafi Asalin Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dukiya | Daraja | Sharadi | Source |
Ƙimar Rarraba Kyauta | 22 | (1) ACD | |
H Masu karɓa | 15 | (1) ACD | |
H Masu Ba da taimako | 1 | (1) ACD | |
H Donor/Acceptor Sum | 16 | (1) ACD | |
logP | 8.401± 0.723 | Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 922.01 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dukiya | Daraja | Tushen yanayi |
Wuri Mai Girma | 176 A2 | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1 H NMR
13 C NMR