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) phosphoramite (ACI)
Lambarka Diiwaanka CAS
144089-97-4
Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
Miisaanka Molecular | 857.91 | - |
pKa (La saadaaliyay) | 9.16±0.20 | Heerkulka ugu acidic badan: 25 °C |
Dhoola-cadaynta 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
Dhoola-caddeyn
C (OC[C@@H]1[C@@H] (OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](F)[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
Furaha InChi
KJFUMXZZVYMQEU-AOCJBPQJSA-N
1 Magaca kale ee walaxdan
Guanosin, 5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2'-deoxy-2'-fluoro-N-(2-methyl-1-oxopropyl)-, 3′- [2-cyanoethyl bis (1-methyl ethyl) fosphoramite] (9CI)
Guryaha la heli karo
Nafley
Kiimiko
Lipinski
Qaab-dhismeedka La Xiriira
Hanti | Qiimaha | Xaalad | Xigasho |
Qodobka bioconcentration | 298 | pH 1; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 6350 | pH 2; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 57800 | pH 3; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.76 x 105 | pH 4; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 2.21 x 105 | pH 5; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 2.26 x 105 | pH 6; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 2.24 x 105 | pH 7; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 2.03 x 105 | pH 8; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.04 x 105 | pH 9; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 19300kii | pH 10; Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Isha Xaaladda Qiimaha Hantida |
Koc 312 pH 1; Heerkulka: 25 °C (1) ACD |
Koc 6630 pH 2; Heerkulka: 25 °C (1) ACD |
Koc 60400 pH 3; Heerkulka: 25 °C (1) ACD |
Koc 1.84 x 105 pH 4; Heerkulka: 25 °C (1) ACD |
Koc 2.31 x 105 pH 5; Heerkulka: 25 °C (1) ACD |
Koc 2.37 x 105 pH 6; Heerkulka: 25 °C (1) ACD |
Koc 2.35 x 105 pH 7; Heerkulka: 25 °C (1) ACD |
Koc 2.12 x 105 pH 8; Heerkulka: 25 °C (1) ACD |
Koc 1.08 x 105 pH 9; Heerkulka: 25 °C (1) ACD |
Koc 20200 pH 10; Heerkulka: 25 °C (1) ACD |
logD 4.47 pH 1; Heerkulka: 25 °C (1) ACD |
logD 5.80 pH 2; Heerkulka: 25 °C (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
logD | 6.76 | pH 3; Heerkulka: 25 °C | (1) ACD |
logD | 7.24 | pH 4; Heerkulka: 25 °C | (1) ACD |
logD | 7.34 | pH 5; Heerkulka: 25 °C | (1) ACD |
logD | 7.35 | pH 6; Heerkulka: 25 °C | (1) ACD |
logD | 7.35 | pH 7; Heerkulka: 25 °C | (1) ACD |
logD | 7.30 | pH 8; Heerkulka: 25 °C | (1) ACD |
logD | 7.01 | pH 9; Heerkulka: 25 °C | (1) ACD |
logD | 6.28 | pH 10; Heerkulka: 25 °C | (1) ACD |
logP | 7.351± 0.713 | Heerkulka: 25 °C | (1) ACD |
Solubility Mass Intrinsic | 3.0 x 10-5 g/L | Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 0.022 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.0 x 10-3 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.2 x 10-4 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.9 x 10-5 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.1 x 10-5 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.0 x 10-5 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.0 x 10-5 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.3 x 10-5 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 6.5 x 10-5 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.5 x 10-4 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.0 x 10-5 g/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
Solubility Intrinsic Molar | 3.5 x 10-8 mol/L | Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.6 x 10-5 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.2 x 10-6 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.4 x 10-7 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 4.5 x 10-8 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 3.6 x 10-8 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 3.5 x 10-8 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 3.5 x 10-8 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 3.9 x 10-8 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 7.6 x 10-8 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 4.1 x 10-7 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Solubility Molar | 3.5 x 10-8 mol/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 857.91 | ||
pKa | 9.16±0.20 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
pKa | 3.45 ± 0.70 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Isha Xaaladda |
Aagga dusha sare ee Polar | 184 A2 | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Xaalad | Xigasho |
Boondhigyo si xor ah loo wareejin karo | 18 | (1) ACD | |
H Aqbalayaasha | 15 | (1) ACD | |
H Deeq-bixiyayaasha | 2 | (1) ACD | |
Ku-deeqaha/Aqbalka Wadarta | 17 | (1) ACD | |
logP | 7.351± 0.713 | Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 857.91 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)