![C44H53FN7O8 guanosine, 5 ′ -O- [bis (4-methoxyfenyl) fenylmethyl] -2 ′ -deoxy-2 ′-fluor-N- (2-methyl-1-oxopropyl)-, 3 ′-[2-cyanoethyl N, N-bis (1-Methyl Ethyl) Phosphoramidite] (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methyl ethyl)phosphoramidite] (ACI) Featured Image](https://cdn.globalso.com/nvchem/C44H53FN7O8.png)
C44H53FN7O8 guanosine, 5 ′ -O- [bis (4-methoxyfenyl) fenylmethyl] -2 ′ -deoxy-2 ′-fluor-N- (2-methyl-1-oxopropyl)-, 3 ′-[2-cyanoethyl N, N-bis (1-Methyl Ethyl) Phosphoramidite] (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI)
CAS -registernummer
144089-97-4
| Belangrijkste fysieke eigenschappen | Waarde | Voorwaarde |
| Molecuulgewicht | 857.91 | - |
| PKA (voorspeld) | 9,16 ± 0,20 | Meest zure temperatuur: 25 ° C |
Canonieke glimlachen
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
Isomere glimlach
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 = c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) c (oc) = 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) 29 (5) (5) (5) (5) (5) (5) (5) (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
KJFUMXZZVYMQEU-AOCJBPQJSA-N
1 andere naam voor deze stof
Guanosine, 5 ′ -O-[bis (4-methoxyfenyl) fenylmethyl] -2 ′ -deoxy-2 ′ -fluoro-N-(2-methyl-1-oxopropyl)-, 3 '-[2-cyanoethyl BIS (1-methylethyl) fosforamidiet] (9ci)
Eigenschappen beschikbaar
Biologisch
Chemisch
Lipinski
Structuur gerelateerd
| Eigendom | Waarde | Voorwaarde | Bron |
| Bioconcentratiefactor | 298 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 6350 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 57800 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.76 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 2.21 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 2.26 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 2.24 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 2.03 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.04 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 19300 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Bron van de eigenschapswaarde 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 |
| Eigendom | Waarde | Voorwaarde | 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 |
| Massale intrinsieke oplosbaarheid | 3.0 x 10-5 g/l | Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,022 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1,0 x 10-3 g/l | pH 2; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.2 x 10-4 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.9 x 10-5 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.1 x 10-5 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.0 x 10-5 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.0 x 10-5 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.3 x 10-5 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 6.5 x 10-5 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.5 x 10-4 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.0 x 10-5 g/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molaire intrinsieke oplosbaarheid | 3,5 x 10-8 mol/l | Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 2,6 x 10-5 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1.2 x 10-6 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,4 x 10-7 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 4.5 x 10-8 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.6 x 10-8 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3,5 x 10-8 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3,5 x 10-8 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.9 x 10-8 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 7.6 x 10-8 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 4.1 x 10-7 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Molaire oplosbaarheid | 3,5 x 10-8 mol/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 857.91 | ||
| pka | 9,16 ± 0,20 | Meest zure temperatuur: 25 ° C | (1) ACD |
| pka | 3,45 ± 0,70 | Meest basistemperatuur: 25 ° C | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Conditiebron |
| Pooloppervlak | 184 A2 | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Voorwaarde | Bron |
| Vrij roteerbare bindingen | 18 | (1) ACD | |
| H ACCEPTORS | 15 | (1) ACD | |
| H Donoren | 2 | (1) ACD | |
| H Donor/Acceptor -som | 17 | (1) ACD | |
| logp | 7.351 ± 0,713 | Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 857.91 |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
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