![C44H53FN7O8 Guanosine, 5 ′ -O- [bis (4-methoxyphenyl) fenielmethyl] -2 ′ -deoxy-2 ′-fluoro-n- (2-metiel-1-oksopropyl)-, 3 ′-[2-cyanoethyl N, N-Bis (1-metiel) fosforamiede] (aci-bis)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C44H53FN7O8 Guanosine, 5 ′ -O- [bis (4-methoxyphenyl) fenylmethyl] -2 ′ -deoxy-2 ′-fluoro-N- (2-metiel-1-oksopropyl)-, 3 ′-[2-cyanoethyl N, N-Bis (1-metiel) phosforamidiet] (aci) (aci) (1-metiel) fosforamidiet]](https://cdn.globalso.com/nvchem/C44H53FN7O8.png)
C44H53FN7O8 Guanosine, 5 ′ -O- [bis (4-methoxyphenyl) fenielmethyl] -2 ′ -deoxy-2 ′-fluoro-n- (2-metiel-1-oksopropyl)-, 3 ′-[2-cyanoethyl N, N-Bis (1-metiel) fosforamiede] (aci-bis)
CAS -registernommer
144089-97-4
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 857.91 | - |
| PKA (voorspel) | 9.16 ± 0.20 | Die meeste suur temp: 25 ° C |
Kanonieke glimlagte
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) C) NC65) N (C) C (C) C (C) C (C) C (C) C (C)
Isomeriese glimlagte
C (OC [c @@ h] 1 [c @@ h] (op (n (c (c) c) c (c) c) concc#n) [c @@ h] (f) [c @@ h] (o1) n2c3 = c (n = c2) c (= o) n = c (nc (c) c (c) c) = o) n3) (c4 = c (cc) = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Duim
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 -sleutel
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1 Ander naam vir hierdie stof
Guanosine, 5 ′ -O-[bis (4-methoxyphenyl) fenielmetiel] -2 ′ -deoxy-2 ′ -fluoro-N-(2-metiel-1-oksopropyl)-, 3 ′-[2-cyanoethyl bis (1-metieletiel) fosforamidiet] (9ci)
Eiendom beskikbaar
Biologies
Chemies
Lipinski
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 298 | Ph 1; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 6350 | Ph 2; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 57800 | Ph 3; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1,76 x 105 | Ph 4; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2.21 x 105 | Ph 5; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2.26 x 105 | Ph 6; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2.24 x 105 | Ph 7; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2.03 x 105 | Ph 8; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.04 x 105 | Ph 9; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 19300 | Ph 10; Temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
| Eiendom Waarde -toestand bron |
| 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 |
| Eiendom | Waarde | Toestand | Bron |
| logd | 6.76 | Ph 3; Temp: 25 ° C | (1) ACD |
| logd | 7.24 | Ph 4; Temp: 25 ° C | (1) ACD |
| logd | 7.34 | Ph 5; Temp: 25 ° C | (1) ACD |
| logd | 7.35 | Ph 6; Temp: 25 ° C | (1) ACD |
| logd | 7.35 | Ph 7; Temp: 25 ° C | (1) ACD |
| logd | 7.30 | Ph 8; Temp: 25 ° C | (1) ACD |
| logd | 7.01 | Ph 9; Temp: 25 ° C | (1) ACD |
| logd | 6.28 | Ph 10; Temp: 25 ° C | (1) ACD |
| logp | 7.351 ± 0.713 | Temp: 25 ° C | (1) ACD |
| Massa intrinsieke oplosbaarheid | 3,0 x 10-5 g/l | Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,022 g/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,0 x 10-3 g/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,2 x 10-4 g/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,9 x 10-5 g/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,1 x 10-5 g/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,0 x 10-5 g/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,0 x 10-5 g/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,3 x 10-5 g/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 6,5 x 10-5 g/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,5 x 10-4 g/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,0 x 10-5 g/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molêre intrinsieke oplosbaarheid | 3,5 x 10-8 mol/l | Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,6 x 10-5 mol/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,2 x 10-6 mol/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,4 x 10-7 mol/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 4.5 x 10-8 mol/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3,6 x 10-8 mol/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3,5 x 10-8 mol/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3,5 x 10-8 mol/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3,9 x 10-8 mol/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 7,6 x 10-8 mol/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 4.1 x 10-7 mol/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molêre oplosbaarheid | 3,5 x 10-8 mol/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 857.91 | ||
| pka | 9.16 ± 0.20 | Die meeste suur temp: 25 ° C | (1) ACD |
| pka | 3,45 ± 0,70 | Die meeste basiese temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
| Eiendom | Waarde | Toestandbron |
| Pooloppervlakte | 184 A2 | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare bindings | 18 | (1) ACD | |
| H Acceptors | 15 | (1) ACD | |
| H -donateurs | 2 | (1) ACD | |
| H Skenker/Acceptor Sum | 17 | (1) ACD | |
| logp | 7.351 ± 0.713 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 857.91 |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
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