C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylphoramiphomi ethyl)
Inombolo yoBhaliso yeCAS
144089-97-4
| IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
| Ubunzima beMolekyuli | 857.91 | - |
| pKa (Kuxelwe kwangaphambili) | 9.16±0.20 | Owona bushushu be-Acidic Temp: 25 °C |
Uncumo lweCanonical
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)
Isomeric UNCUMA
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)=O)N3)(C4)CC= =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(58-34-28)5(58-34-29) 29(29) 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
Isitshixo se-InchI
KJFUMXZZVYMQEU-AOCJBPQJSA-N
1 Elinye iGama lesi Sithombo
IGuanosine, 5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ -fluoro-N-(2-methyl-1-oxopropyl)-, 3′ - [2-cyanoethyl bis(1-methyl ethyl)phosphoramidite] (9CI)
Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Lipinski
Ulwakhiwo olunxulumeneyo
| Ipropati | Ixabiso | Imeko | Umthombo |
| I-Bioconcentration Factor | 298 | pH 1; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 6350 | pH 2; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 57800 | pH 3; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.76 x 105 | pH 4; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 2.21 x 105 | pH 5; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 2.26 x 105 | pH 6; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 2.24 x 105 | pH 7; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 2.03 x 105 | pH 8; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.04 x 105 | pH 9; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 19300 | pH 10; Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
| Umthombo wemeko yeXabiso lePropati |
| Koc 312 pH 1; Temp: 25 °C (1) ACD |
| Koc 6630 pH 2; Temp: 25 °C (1) ACD |
| Koc 60400 pH 3; Temp: 25 °C (1) ACD |
| Koc 1.84 x 105 pH 4; Temp: 25 °C (1) ACD |
| Koc 2.31 x 105 pH 5; Temp: 25 °C (1) ACD |
| Koc 2.37 x 105 pH 6; Temp: 25 °C (1) ACD |
| Koc 2.35 x 105 pH 7; Temp: 25 °C (1) ACD |
| Koc 2.12 x 105 pH 8; Temp: 25 °C (1) ACD |
| Koc 1.08 x 105 pH 9; Temp: 25 °C (1) ACD |
| Koc 20200 pH 10; Temp: 25 °C (1) ACD |
| logD 4.47 pH 1; Temp: 25 °C (1) ACD |
| logD 5.80 pH 2; Temp: 25 °C (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| logD | 6.76 | pH 3; Ubushushu: 25 °C | (1) ACD |
| logD | 7.24 | pH 4; Ubushushu: 25 °C | (1) ACD |
| logD | 7.34 | pH 5; Ubushushu: 25 °C | (1) ACD |
| logD | 7.35 | pH 6; Ubushushu: 25 °C | (1) ACD |
| logD | 7.35 | pH 7; Ubushushu: 25 °C | (1) ACD |
| logD | 7.30 | pH 8; Ubushushu: 25 °C | (1) ACD |
| logD | 7.01 | pH 9; Ubushushu: 25 °C | (1) ACD |
| logD | 6.28 | pH 10; Ubushushu: 25 °C | (1) ACD |
| logP | 7.351±0.713 | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMass Intrinsic | 3.0 x 10-5 g/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.022 g/L | pH 1; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.0 x 10-3 g/L | pH 2; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.2 x 10-4 g/L | pH 3; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 3.9 x 10-5 g/L | pH 4; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 3.1 x 10-5 g/L | pH 5; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 3.0 x 10-5 g/L | pH 6; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 3.0 x 10-5 g/L | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 3.3 x 10-5 g/L | pH 8; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 6.5 x 10-5 g/L | pH 9; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 3.5 x 10-4 g/L | pH 10; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 3.0 x 10-5 g/L | Amanzi angaphazanyiswanga pH 7.00; Ubushushu: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 3.5 x 10-8 mol/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.6 x 10-5 mol/L | pH 1; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.2 x 10-6 mol / L | pH 2; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.4 x 10-7 mol/L | pH 3; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 4.5 x 10-8 mol/L | pH 4; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 3.6 x 10-8 mol/L | pH 5; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 3.5 x 10-8 mol/L | pH 6; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 3.5 x 10-8 mol/L | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 3.9 x 10-8 mol/L | pH 8; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 7.6 x 10-8 mol/L | pH 9; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 4.1 x 10-7 mol/L | pH 10; Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| Ukunyibilika kweMolar | 3.5 x 10-8 mol/L | Amanzi angaphazanyiswanga pH 7.00; Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 857.91 | ||
| pKa | 9.16±0.20 | Owona bushushu be-Acidic Temp: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Eyona Tempile iSiseko: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
| Ipropati | Ixabiso | Umthombo wemeko |
| Indawo yePolar Surface | 184 A2 | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
| Ipropati | Ixabiso | Imeko | Umthombo |
| Iibhondi eziGuquguqukayo ngokukhululekileyo | 18 | (1) ACD | |
| H Abamkeli | 15 | (1) ACD | |
| H Abaxhasi | 2 | (1) ACD | |
| H Umnikeli/uMamkeli Isambuku | 17 | (1) ACD | |
| logP | 7.351±0.713 | Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 857.91 |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
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