C44H53FN7O8 Guanosin, 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)
Lambar Rijistar CAS
144089-97-4
Mabuɗin Abubuwan Jiki | Daraja | Yanayi |
Nauyin Kwayoyin Halitta | 857.91 | - |
pKa (An annabta) | 9.16 ± 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=NC=6C (=O)N=C(NC(=O)C(C)C)NC65)N(C(C)C)C(C)C
MURMUSHI
C (OC[C@H] 1[C@@H](OP(N(C(C))C)C H](O1)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3(C4=CC=C(OC)C =C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChi
InChi= 1S/C44H53FN7O8P/c1-27(2)40(53)49-43-48-39-37(41(54)50-43)47-26-51(39)42-36(45)38(60-) 61 (58-24-12-23-46) 52 (28 (3)4)29 (5) 6)35 (59-42)25-57-44 (30-13-10-9-11-14-30,31-15-19-33(55-7)20-16- 31)32-17-21-34(56-8)22-18-32/h9-11,13-22,26-29,35-36,38,42H,12, 24-25H2,1-8H3,(H2,48,49,50,53,54)/t35-,36-,38-,42-,61?/m1/s1
InChi Key
KJFUMXZZVYMQEU-AOCJBPQJSA-N
1 Wani Sunan Wannan Abu
Guanosin, 5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'-fluoro-N(2-methyl-1-oxopropyl) -, 3'- [2-cyanoethyl bis (1-methyl ethyl) phosphoramite] (9CI)
Properties akwai
Halittu
Chemical
Lipinski
Tsarin Yanayi
Dukiya | Daraja | Yanayi | Source |
Factor na Bioconcentration | 298 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 6350 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 57800 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.76 x 105 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2.21 x 105 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2.26 x 105 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2.24 x 105 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2.03 x 105 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.04 x 105 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 19300 | 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)
Tushen Halin Ƙimar Dukiya |
Koc 312 pH 1; Zazzabi: 25 °C (1) ACD |
Koc 6630 pH 2; Zazzabi: 25 °C (1) ACD |
Koc 60400 pH 3; Zazzabi: 25 °C (1) ACD |
Koc 1.84 x 105 pH 4; Zazzabi: 25 °C (1) ACD |
Koc 2.31 x 105 pH 5; Zazzabi: 25 °C (1) ACD |
Koc 2.37 x 105 pH 6; Zazzabi: 25 °C (1) ACD |
Koc 2.35 x 105 pH 7; Zazzabi: 25 °C (1) ACD |
Koc 2.12 x 105 pH 8; Zazzabi: 25 °C (1) ACD |
Koc 1.08 x 105 pH 9; Zazzabi: 25 °C (1) ACD |
Koc 20200 pH 10; Zazzabi: 25 °C (1) ACD |
logD 4.47 pH 1; Zazzabi: 25 °C (1) ACD |
logD 5.80 pH 2; Zazzabi: 25 °C (1) ACD |
Dukiya | Daraja | Yanayi | Source |
logD | 6.76 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
logD | 7.24 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
logD | 7.34 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
logD | 7.35 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
logD | 7.35 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
logD | 7.30 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
logD | 7.01 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
logD | 6.28 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logP | 7.351± 0.713 | Zazzabi: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 3.0 x 10-5 g/L | Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 0.022 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.0 x 10-3 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.2 x 10-4 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.9 x 10-5 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.1 x 10-5 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.0 x 10-5 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.0 x 10-5 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.3 x 10-5 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 6.5 x 10-5 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-4 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.0 x 10-5 g/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
Solubility na Ciki na Molar | 3.5 x 10-8 mol/L | Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 2.6 x 10-5 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.2 x 10-6 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.4 x 10-7 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 4.5 x 10-8 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 3.6 x 10-8 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 3.5 x 10-8 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 3.5 x 10-8 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 3.9 x 10-8 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 7.6 x 10-8 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 4.1 x 10-7 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Yanayi | Source |
Solubility na Molar | 3.5 x 10-8 mol/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 857.91 | ||
pKa | 9.16 ± 0.20 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
pKa | 3.45± 0.70 | 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 | 184 A2 | (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 |
Ƙimar Rarraba Kyauta | 18 | (1) ACD | |
H Masu karɓa | 15 | (1) ACD | |
H Masu Ba da taimako | 2 | (1) ACD | |
H Donor/Acceptor Sum | 17 | (1) ACD | |
logP | 7.351± 0.713 | Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 857.91 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)