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)
Inombolo Yokubhalisa ye-CAS
150780-67-9
H303
Izici Zomzimba Eziyinhloko | Inani | Isimo |
Isisindo samangqamuzana | 869.94 | - |
pKa (Kubikezelwe) | 9.16±0.20 | Izinga Le-Acidic Elikhulu: 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
I-Isomeric SMILES
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OC)[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
I-InChI
I-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(31-14-11-10-12-15-31,32-16-20-34( 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
Ukhiye we-InchI
IRRDHRZUOZNWDJ-MLLDKZSOSA-N
1 Elinye Igama lale nto
I-Guanosine, 5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-N-(2-methyl-1-oxopropyl)-, 3′ - [2-cyanoethyl bis(1-methylethyl) phosphoramidite] (9CI)
I-Spectra iyatholakala
13 C NMR
I-Hetero NMR
Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
Lipinski
Okuhlobene Nesakhiwo
Impahla | Inani | Isimo | Umthombo |
I-Bioconcentration Factor | 183 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 3890 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 35500 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.08 x 105 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.36 x 105 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.39 x 105 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.38 x 105 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.24 x 105 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 63600 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 11900 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Impahla | Inani | Isimo | Umthombo |
Koc | 220 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 4680 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 42600 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1.30 x 105 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1.63 x 105 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1.67 x 105 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1.65 x 105 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1.49 x 105 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
Impahla | Inani | Isimo | Umthombo |
Koc | 76400 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 14200 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
logD | 4.19 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
logD | 5.52 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.48 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.96 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
logD | 7.06 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
logD | 7.07 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
logD | 7.07 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
logD | 7.02 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.73 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.00 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
logP | 7.072±0.721 | Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Intrinsic Solubility | 1.2 x 10-4 g/L | Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 0.096 g/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 4.3 x 10-3 g/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 4.8 x 10-4 g/L | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 1.6 x 10-4 g/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 1.2 x 10-4 g/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 1.2 x 10-4 g/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 1.2 x 10-4 g/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 1.4 x 10-4 g/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 2.7 x 10-4 g/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 1.4 x 10-3 g/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 1.2 x 10-4 g/L | Amanzi Angavinjelwe pH 7.00; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Intrinsic Solubility | 1.4 x 10-7 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.1 x 10-4 mol/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 5.0 x 10-6 mol/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 5.5 x 10-7 mol/L | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.8 x 10-7 mol/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.4 x 10-7 mol/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.4 x 10-7 mol/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
Impahla | Inani | Isimo | Umthombo |
I-Molar Solubility | 1.4 x 10-7 mol/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.6 x 10-7 mol/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 3.1 x 10-7 mol/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.6 x 10-6 mol/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.4 x 10-7 mol/L | Amanzi Angavinjelwe pH 7.00; Izinga lokushisa: 25 °C | (1) ACD |
Isisindo samangqamuzana | 869.94 | ||
pKa | 9.16±0.20 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
pKa | 3.45±0.70 | Izinga Lokushisa Eziyisisekelo: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Impahla | Inani | Isimo | Umthombo |
Amabhondi Ashintshashintshayo Ngokukhululekile | 19 | (1) ACD | |
H Abamukelayo | 16 | (1) ACD | |
H Abanikeli | 2 | (1) ACD | |
H Isamba Somnikeli/Umamukeli | 18 | (1) ACD | |
logP | 7.072±0.721 | Izinga lokushisa: 25 °C | (1) ACD |
Isisindo samangqamuzana | 869.94 |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Impahla | Inani | Umthombo Wesimo |
Indawo ye-Polar Surface | 194 A2 | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Spectra iyatholakala
1 H NMR
13 C NMR
Ikhodi | Isitatimende Sengozi | Umthombo |
H303 | Ingase ibe yingozi uma igwinywe | Uchwepheshe Ukhethiwe |