![C44H53FN7O8 Guanosin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-N-(2-methyl-1-oxopropyl)-, 3'- [2-cyanoethyl N, N-bis(1-Methylethyl)phosphoramidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C44H53FN7O8 Guanosin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-N-(2-methyl-1-oxopropyl)-, 3'- [2-cyanoethyl N, N-bis(1-Methylethyl)phosphoramidit] (ACI) Featured Image](https://cdn.globalso.com/nvchem/C44H53FN7O8.png)
C44H53FN7O8 Guanosin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-N-(2-methyl-1-oxopropyl)-, 3'- [2-cyanoethyl N, N-bis(1-Methylethyl)phosphoramidit] (ACI)
CAS Registréierungsnummer
144089-97-4
| Schlëssel kierperlech Eegeschaften | Wäert | Zoustand |
| Molekulare Gewiicht | 857,91 | - |
| pKa (virausgesot) | 9,16 ± 0,20 | Déi meescht sauer Temperatur: 25 °C |
Kanonesch SMILES
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
Isomeric SMILES
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 Schlëssel
KJFUMXZZVYMQEU-AOCJBPQJSA-N
1 Aneren Numm fir dës Substanz
Guanosin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-N-(2-methyl-1-oxopropyl)-, 3'- [2-cyanoethyl bis(1-methylethyl)phosphoramidit] (9CI)
Eegeschafte verfügbar
Biologesch
Chemesch
Lipinski
Struktur Zesummenhang
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 298 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 6350 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 57800 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,76 x 105 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 2,21 x 105 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 2,26 x 105 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 2,24 x 105 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 2,03 x 105 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,04 x 105 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 19300 | pH 10; Temperatur: 25 °C | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Property Wäert Conditioun Quell |
| Koc 312 pH 1; Temperatur: 25 °C (1) ACD |
| Koc 6630 pH 2; Temperatur: 25 °C (1) ACD |
| Koc 60400 pH 3; Temperatur: 25 °C (1) ACD |
| Koc 1,84 x 105 pH 4; Temperatur: 25 °C (1) ACD |
| Koc 2,31 x 105 pH 5; Temperatur: 25 °C (1) ACD |
| Koc 2,37 x 105 pH 6; Temperatur: 25 °C (1) ACD |
| Koc 2,35 x 105 pH 7; Temperatur: 25 °C (1) ACD |
| Koc 2,12 x 105 pH 8; Temperatur: 25 °C (1) ACD |
| Koc 1,08 x 105 pH 9; Temperatur: 25 °C (1) ACD |
| Koc 20200 pH 10; Temperatur: 25 °C (1) ACD |
| logD 4,47 pH 1; Temperatur: 25 °C (1) ACD |
| logD 5,80 pH 2; Temperatur: 25 °C (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| log D | 6,76 | pH 3; Temperatur: 25 °C | (1) ACD |
| log D | 7.24 | pH 4; Temperatur: 25 °C | (1) ACD |
| log D | 7.34 | pH 5; Temperatur: 25 °C | (1) ACD |
| log D | 7.35 | pH 6; Temperatur: 25 °C | (1) ACD |
| log D | 7.35 | pH 7; Temperatur: 25 °C | (1) ACD |
| log D | 7.30 | pH 8; Temperatur: 25 °C | (1) ACD |
| log D | 7.01 | pH 9; Temperatur: 25 °C | (1) ACD |
| log D | 6.28 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 7,351±0,713 | Temperatur: 25 °C | (1) ACD |
| Mass Intrinsesch Solubilitéit | 3,0 x 10-5 g/l | Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 0,022 g/l | pH 1; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,0 x 10-3 g/l | pH 2; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,2 x 10-4 g/l | pH 3; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,9 x 10-5 g/l | pH 4; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,1 x 10-5 g/l | pH 5; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,0 x 10-5 g/l | pH 6; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,0 x 10-5 g/l | pH 7; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,3 x 10-5 g/l | pH 8; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 6,5 x 10-5 g/l | pH 9; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,5 x 10-4 g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,0 x 10-5 g/l | Ongebuffert Waasser pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molar Intrinsesch Solubilitéit | 3,5 x 10-8 mol/l | Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 2,6 x 10-5 mol/l | pH 1; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,2 x 10-6 mol/l | pH 2; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,4 x 10-7 mol/l | pH 3; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 4,5 x 10-8 mol/l | pH 4; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 3,6 x 10-8 mol/l | pH 5; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 3,5 x 10-8 mol/l | pH 6; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 3,5 x 10-8 mol/l | pH 7; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 3,9 x 10-8 mol/l | pH 8; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 7,6 x 10-8 mol/l | pH 9; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 4,1 x 10-7 mol/l | pH 10; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Molar Solubilitéit | 3,5 x 10-8 mol/l | Ongebuffert Waasser pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 857,91 | ||
| pKa | 9,16 ± 0,20 | Déi meescht sauer Temperatur: 25 °C | (1) ACD |
| pKa | 3,45±0,70 | Déi meescht Basistemperatur: 25 °C | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Immobilie | Wäert | Conditioun Quell |
| Polar Fläch Beräich | 184 A2 | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Immobilie | Wäert | Zoustand | Quell |
| Fräi rotéierbar Obligatiounen | 18 | (1) ACD | |
| H Akzepter | 15 | (1) ACD | |
| H Donateuren | 2 | (1) ACD | |
| H Donateur / Akzeptanz Zomm | 17 | (1) ACD | |
| logP | 7,351±0,713 | Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 857,91 |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
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