C45H56N7O9P Guanosine, 5′-O- [bis(4-methoxyphenyl) phenylmethyl]-2′-O-methyl- N-(2-methyl-1-oxopropyl)-, 3′- [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI)
Lambarka Diiwaanka CAS
150780-67-9
H303
Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
Miisaanka Molecular | 869.94 | - |
pKa (La saadaaliyay) | 9.16±0.20 | Heerkulka ugu acidic badan: 25 °C |
N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OC)COC(C=4C=CC=CC4)(C5=CC) =C(OC)C=C5)C6=CC=C(OC)C=C6)N(C(C)C)C(C)C
Dhoola-caddeyn
C (OC[C@@H]1[C@@H] (OP(N(C)C)C(C)C)OCCC#N)[C@@H](OC) 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/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9) 38 (61-62(59-25-13-24-)
46)52(29(3)4)30(5)6)36(60-43)26-58-45 6-20-34(55-7)21-17-32)33-18-22-35(56-8)23-19-33/h10-12,14-23,27 -30,36,38-39,43H,13,25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/ m1/s1
Furaha InChi
IRRDHRZUOZNWDJ-MLLDKZSOSA-N
1 Magaca kale ee walaxdan
Guanosin, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O-methyl-N-(2-methyl-1-oxopropyl)-, 3′- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI)
Spectra waa la heli karaa
13 C NMR
Hetero NMR
Guryaha la heli karo
Nafley
Kiimiko
Lipinski
Qaab-dhismeedka La Xiriira
Hanti | Qiimaha | Xaalad | Xigasho |
Qodobka bioconcentration | 183 | pH 1; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 3890 | pH 2; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 35500 | pH 3; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.08 x 105 | pH 4; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.36 x 105 | pH 5; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.39 x 105 | pH 6; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.38 x 105 | pH 7; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.24 x 105 | pH 8; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 63600 | pH 9; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 11900 | 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)
Hanti | Qiimaha | Xaalad | Xigasho |
Koc | 220 | pH 1; Heerkulka: 25 °C | (1) ACD |
Koc | 4680 | pH 2; Heerkulka: 25 °C | (1) ACD |
Koc | 42600 | pH 3; Heerkulka: 25 °C | (1) ACD |
Koc | 1.30 x 105 | pH 4; Heerkulka: 25 °C | (1) ACD |
Koc | 1.63 x 105 | pH 5; Heerkulka: 25 °C | (1) ACD |
Koc | 1.67 x 105 | pH 6; Heerkulka: 25 °C | (1) ACD |
Koc | 1.65 x 105 | pH 7; Heerkulka: 25 °C | (1) ACD |
Koc | 1.49 x 105 | pH 8; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Koc | 76400 | pH 9; Heerkulka: 25 °C | (1) ACD |
Koc | 14200 | pH 10; Heerkulka: 25 °C | (1) ACD |
logD | 4.19 | pH 1; Heerkulka: 25 °C | (1) ACD |
logD | 5.52 | pH 2; Heerkulka: 25 °C | (1) ACD |
logD | 6.48 | pH 3; Heerkulka: 25 °C | (1) ACD |
logD | 6.96 | pH 4; Heerkulka: 25 °C | (1) ACD |
logD | 7.06 | pH 5; Heerkulka: 25 °C | (1) ACD |
logD | 7.07 | pH 6; Heerkulka: 25 °C | (1) ACD |
logD | 7.07 | pH 7; Heerkulka: 25 °C | (1) ACD |
logD | 7.02 | pH 8; Heerkulka: 25 °C | (1) ACD |
logD | 6.73 | pH 9; Heerkulka: 25 °C | (1) ACD |
logD | 6.00 | pH 10; Heerkulka: 25 °C | (1) ACD |
logP | 7.072± 0.721 | Heerkulka: 25 °C | (1) ACD |
Solubility Mass Intrinsic | 1.2 x 10-4 g/L | Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 0.096 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 4.3 x 10-3 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 4.8 x 10-4 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 1.6 x 10-4 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 1.2 x 10-4 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 1.2 x 10-4 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 1.2 x 10-4 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 1.4 x 10-4 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 2.7 x 10-4 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 1.4 x 10-3 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 1.2 x 10-4 g/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
Solubility Intrinsic Molar | 1.4 x 10-7 mol/L | Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.1 x 10-4 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 5.0 x 10-6 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 5.5 x 10-7 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.4 x 10-7 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.4 x 10-7 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Solubility Molar | 1.4 x 10-7 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.6 x 10-7 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 3.1 x 10-7 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.6 x 10-6 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.4 x 10-7 mol/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 869.94 | ||
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 | Xaalad | Xigasho |
Boondhigyo si xor ah loo wareejin karo | 19 | (1) ACD | |
H Aqbalayaasha | 16 | (1) ACD | |
H Deeq-bixiyayaasha | 2 | (1) ACD | |
Ku-deeqaha/Aqbalka Wadarta | 18 | (1) ACD | |
logP | 7.072± 0.721 | Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 869.94 |
(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 | 194 A2 | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra waa la heli karaa
1 H NMR
13 C NMR
Koodhka | Bayaanka Khatarta | Xigasho |
H303 | Waxaa laga yaabaa inay waxyeelo leedahay haddii la liqo | Khabiir ayaa la qiimeeyay |