![C44H53FN7O8 Guanozino, 5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ -deoksi-2′ – fluoro-N-(2-metil-1-oxopropil)-, 3′ – [2-cianoetil N, N-bis(1-metiletil)fosforamidito] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C44H53FN7O8 Guanozino, 5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ -deoksi-2′ – fluoro-N-(2-metil-1-oxopropil)-, 3′ – [2-cianoetil N, N-bis(1-metiletil)fosforamidito] (ACI) Elstara bildo](https://cdn.globalso.com/nvchem/C44H53FN7O8.png)
C44H53FN7O8 Guanozino, 5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ -deoksi-2′ – fluoro-N-(2-metil-1-oxopropil)-, 3′ – [2-cianoetil N, N-bis(1-metiletil)fosforamidito] (ACI)
CAS-Registra Numero
144089-97-4
| Ŝlosilaj Fizikaj Propraĵoj | Valoro | Kondiĉo |
| Molekula pezo | 857,91 | - |
| pKa (Antaŭvidita) | 9,16±0,20 | Plej Acida Temp: 25 °C |
Kanonaj RIDETOJ
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
Isomeraj RIDETOJ
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
InChI Ŝlosilo
KJFUMXZZVYMQEU-AOCJBPQJSA-N
1 Alia Nomo por ĉi tiu Substanco
Guanozino, 5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ -deoksi-2′ -fluoro-N-(2-metil-1-oksopropil)-, 3′ - [2-cianoetil bis(1-metiletil)fosforamidito] (9CI)
Disponeblaj posedaĵoj
Biologia
Kemiaĵo
Lipinski
Strukturo Rilata
| Proprieto | Valoro | Kondiĉo | Fonto |
| Biokoncentra Faktoro | 298 | pH 1; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 6350 | pH 2; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 57800 | pH 3; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 1,76 x 105 | pH 4; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 2,21 x 105 | pH 5; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 2,26 x 105 | pH 6; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 2,24 x 105 | pH 7; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 2,03 x 105 | pH 8; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 1,04 x 105 | pH 9; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 19300 | pH 10; Temperaturo: 25 °C | (1) ACD |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
| Propraĵo Valoro Kondiĉo Fonto |
| 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 |
| Proprieto | Valoro | Kondiĉo | Fonto |
| logD | 6.76 | pH 3; Temperaturo: 25 °C | (1) ACD |
| logD | 7.24 | pH 4; Temperaturo: 25 °C | (1) ACD |
| logD | 7.34 | pH 5; Temperaturo: 25 °C | (1) ACD |
| logD | 7.35 | pH 6; Temperaturo: 25 °C | (1) ACD |
| logD | 7.35 | pH 7; Temperaturo: 25 °C | (1) ACD |
| logD | 7.30 | pH 8; Temperaturo: 25 °C | (1) ACD |
| logD | 7.01 | pH 9; Temperaturo: 25 °C | (1) ACD |
| logD | 6.28 | pH 10; Temperaturo: 25 °C | (1) ACD |
| logP | 7,351±0,713 | Temperaturo: 25 °C | (1) ACD |
| Masa Intrinseka Solvebleco | 3,0 x 10-5 g/L | Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 0,022 g/L | pH 1; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,0 x 10-3 g/L | pH 2; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,2 x 10-4 g/L | pH 3; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 3,9 x 10-5 g/L | pH 4; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 3,1 x 10-5 g/L | pH 5; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 3,0 x 10-5 g/L | pH 6; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 3,0 x 10-5 g/L | pH 7; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 3,3 x 10-5 g/L | pH 8; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 6,5 x 10-5 g/L | pH 9; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 3,5 x 10-4 g/L | pH 10; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 3,0 x 10-5 g/L | Nebufrita Akvo pH 7.00; Temperaturo: 25 °C | (1) ACD |
| Molara Intrinseka Solvebleco | 3,5 x 10-8 mol/L | Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,6 x 10-5 mol/L | pH 1; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,2 x 10-6 mol/L | pH 2; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,4 x 10-7 mol/L | pH 3; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 4,5 x 10-8 mol/L | pH 4; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 3,6 x 10-8 mol/L | pH 5; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 3,5 x 10-8 mol/L | pH 6; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 3,5 x 10-8 mol/L | pH 7; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 3,9 x 10-8 mol/L | pH 8; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 7,6 x 10-8 mol/L | pH 9; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 4,1 x 10-7 mol/L | pH 10; Temperaturo: 25 °C | (1) ACD |
| Proprieto | Valoro | Kondiĉo | Fonto |
| Molara Solvebleco | 3,5 x 10-8 mol/L | Nebufrita Akvo pH 7.00; Temperaturo: 25 °C | (1) ACD |
| Molekula pezo | 857,91 | ||
| pKa | 9,16±0,20 | Plej Acida Temp: 25 °C | (1) ACD |
| pKa | 3,45±0,70 | Plej Baza Temperaturo: 25 °C | (1) ACD |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
| Proprieto | Valoro | Kondiĉo Fonto |
| Polusa Surfacareo | 184 A2 | (1) ACD |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
| Proprieto | Valoro | Kondiĉo | Fonto |
| Libere Rotacieblaj Obligacioj | 18 | (1) ACD | |
| H Akceptantoj | 15 | (1) ACD | |
| H Donantoj | 2 | (1) ACD | |
| H Sumo de donacanto/akceptanto | 17 | (1) ACD | |
| logP | 7,351±0,713 | Temperaturo: 25 °C | (1) ACD |
| Molekula pezo | 857,91 |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
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