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)
Lambar Rijistar CAS
159414-99-0
Mabuɗin Abubuwan Jiki | Daraja | Yanayi |
Nauyin Kwayoyin Halitta | 789.83 | - |
pKa (An annabta) | 10.11± 0.20 | Mafi yawan zafin jiki: 25 ° C |
MURMUSHI na Canonical
N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(= NC5=O)NC(=O)C)N(C(C)C)C(C)C
MURMUSHI
C (OC[C@H] 1[C@@H](OP(N(C(C))C)C H](O1)N2C(=O)N=C(NC(C)=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C) (OC)C=C4)C5=CC=CC=C5
InChi
InChi= 1S/C41H49FN5O8P/c1-27(2)47(28(3)4)56(53-25-11-23-43)55-38-35(54-39(37(38)42)46-24- 22-36 (44-29 (5)48)45-40 (46)49)26-52- 41 (30-12-9-8-10-13-30,31-14-18-33(50-6)19-15-31)32-16-20-34(51) -7)21-17-32/h8-10,12-22,24,27-28,35,37-39H,11,25-26H2,1-7H3,(H, 44,45,48,49)/t35-,37-,38-,39-,56?/m1/s1
InChi Key
CNFKJHKDSRXNFL-UTXREMQHSA-N
1 Wani Sunan Wannan Abu
Cytidine,N-Acetyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'-fluoro-, 3'- [2-cyanoethyl bis (1-methylethyl) phospho amidite] (9CI)
Spectra akwai
Mass
Properties akwai
Halittu
Chemical
Lipinski
Tsarin Yanayi
Dukiya | Daraja | Yanayi | Source |
Factor na Bioconcentration | 8.60 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 90.3 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 3940 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 39100 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 64300 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 68100 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 68300 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 66800 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 54300 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 19200 | 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 | Yanayi | Source |
Koc | 12.6 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Koc | 133 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Koc | 5790 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Koc | 57400 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Koc | 94500 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Koc | 1.00 x 105 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Koc | 1.00 x 105 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Koc | 98200 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Koc | 79700 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Koc | 28200 | pH 10; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Yanayi | Source |
logD | 2.76 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
logD | 3.79 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
logD | 5.43 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
logD | 6.42 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
logD | 6.64 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
logD | 6.66 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
logD | 6.66 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
logD | 6.65 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
logD | 6.56 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
logD | 6.11 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logP | 6.666± 0.764 | Zazzabi: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 4.5 x 10-5 g/L | Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 0.36 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 0.035 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 7.90 x 10-4 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 7.9 x 10-5 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 4.8 x 10-5 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 4.6 x 10-5 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 4.6 x 10-5 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 4.7 x 10-5 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 5.7 x 10-5 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.6 x 10-4 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 4.6 x 10-5 g/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
Solubility na Ciki na Molar | 5.7 x 10-8 mol/L | Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 4.6 x 10-4 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 4.4 x 10-5 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.00 x 10-6 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.0 x 10-7 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 6.1 x 10-8 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.8 x 10-8 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.8 x 10-8 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.9 x 10-8 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Yanayi | Source |
Solubility na Molar | 7.2 x 10-8 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 2.0 x 10-7 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.8 x 10-8 mol/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 789.83 | ||
pKa | 10.11± 0.20 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
pKa | 3.57± 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 | Tushen yanayi |
Wuri Mai Girma | 158 A2 | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)