![C45H5H56N7O9P guanosine, 5 ′ -O- [BIS (4-methoxyfenyl) fenylmethyl] -2 ′ -O-methyl- N- (2-methyl-1-oxopropyl)-, 3 '-[2-Cyanoethyl N, N-Bis (1-methylethyltyl) fosforamidiet] (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI) Featured Image](https://cdn.globalso.com/nvchem/C45H56N7O9P.png)
C45H5H56N7O9P guanosine, 5 ′ -O- [BIS (4-methoxyfenyl) fenylmethyl] -2 ′ -O-methyl- N- (2-methyl-1-oxopropyl)-, 3 '-[2-Cyanoethyl N, N-Bis (1-methylethyltyl) fosforamidiet] (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci)
CAS -registernummer
150780-67-9
H303
| Belangrijkste fysieke eigenschappen | Waarde | Voorwaarde |
| Molecuulgewicht | 869.94 | - |
| PKA (voorspeld) | 9,16 ± 0,20 | Meest zure temperatuur: 25 ° C |
N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OC)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)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] (OC) [C @@ H] (O1) N2C3 = C (N = C2) C (= O) N = C (NC (C) = O) N3) (C4 = C4 = C (Oc) (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Inchi
Inchi = 1S/C45H56N7O9P/C1-28 (2) 41 (53) 49-44-48-40-37 (42 (54) 50-44) 47-27-51 (40) 43-39 (57-9) 38 (61-62 (59-25-13-24-
46) 52 (29 (3) 4) 30 (5) 6) 36 (60-43) 26-58-45 (31-14-11-10-12-15-31,32-16-20-34 (55-7) 21-17-32) 33-18-22-35 (56-8) 23-19-33/H10-12,14-23,27 -30,36,38-39,43H, 13,25-26H2,1-9H3, (H2,48,49,50,53,54)/T36-, 38-, 39-, 43-, 62?/M1/S1
Inchi sleutel
Irrdhrzuoznwdj-mlldkzsosa-n
1 andere naam voor deze stof
Guanosine, 5 ′ -O-[bis (4-methoxyfenyl) fenylmethyl] -2 ′-O-methyl-N-(2-methyl-1-oxopropyl)-, 3 '-[2-cyanoethyl BIS (1-methylethyl) fosforamidiet] (9ci)
Spectra beschikbaar
13 c nmr
Hetero NMR
Eigenschappen beschikbaar
Biologisch
Chemisch
Lipinski
Structuur gerelateerd
| Eigendom | Waarde | Voorwaarde | Bron |
| Bioconcentratiefactor | 183 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 3890 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 35500 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.08 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.36 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.39 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.38 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.24 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 63600 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 11900 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Voorwaarde | Bron |
| KOC | 220 | pH 1; Temp: 25 ° C | (1) ACD |
| KOC | 4680 | pH 2; Temp: 25 ° C | (1) ACD |
| KOC | 42600 | pH 3; Temp: 25 ° C | (1) ACD |
| KOC | 1.30 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| KOC | 1.63 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| KOC | 1.67 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| KOC | 1.65 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| KOC | 1,49 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| KOC | 76400 | pH 9; Temp: 25 ° C | (1) ACD |
| KOC | 14200 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 4.19 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | 5.52 | pH 2; Temp: 25 ° C | (1) ACD |
| logd | 6.48 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | 6.96 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 7.06 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 7.07 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 7.07 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 7.02 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 6.73 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 6,00 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 7.072 ± 0,721 | Temp: 25 ° C | (1) ACD |
| Massale intrinsieke oplosbaarheid | 1.2 x 10-4 g/l | Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,096 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 4.3 x 10-3 g/l | pH 2; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 4,8 x 10-4 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.6 x 10-4 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.2 x 10-4 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.2 x 10-4 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.2 x 10-4 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.4 x 10-4 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 2.7 x 10-4 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.4 x 10-3 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.2 x 10-4 g/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molaire intrinsieke oplosbaarheid | 1,4 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1.1 x 10-4 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5,0 x 10-6 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5,5 x 10-7 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,8 x 10-7 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,4 x 10-7 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,4 x 10-7 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Molaire oplosbaarheid | 1,4 x 10-7 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1.6 x 10-7 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.1 x 10-7 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1.6 x 10-6 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,4 x 10-7 mol/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 869.94 | ||
| 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 | Voorwaarde | Bron |
| Vrij roteerbare bindingen | 19 | (1) ACD | |
| H ACCEPTORS | 16 | (1) ACD | |
| H Donoren | 2 | (1) ACD | |
| H Donor/Acceptor -som | 18 | (1) ACD | |
| logp | 7.072 ± 0,721 | Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 869.94 |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Conditiebron |
| Pooloppervlak | 194 A2 | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Spectra beschikbaar
1 H NMR
13 c nmr
| Code | Gevarenverklaring | Bron |
| H303 | Kan schadelijk zijn als ze worden ingeslikt | Curated Expert |
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