![C41H51N5O8SI guanosine, 5′-O- [BIS (4-methoxyfenyl) fenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] -N- (2-methyl-1-oxopropyl)-(9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H51N5O8Si Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)- (9CI, ACI) Featured Image](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine.jpg)
C41H51N5O8SI guanosine, 5′-O- [BIS (4-methoxyfenyl) fenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] -N- (2-methyl-1-oxopropyl)-(9ci, aci)
| Belangrijkste fysieke eigenschappen | Waarde | Voorwaarde |
| Molecuulgewicht | 769.96 | - |
| Dichtheid (voorspeld) | 1,25 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (voorspeld) | 9,16 ± 0,20 | Meest zure temperatuur: 25 ° C |
Canonical SMILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3O[Si](C)(C)C(C)(C)C
Isomere glimlach
C (oc [c@h] 1o [c@h] ([c@h] (o [si] (c (c) (c) c) (c) c) [c @@ h] 1o) 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/C41H51N5O8SI/C1-25 (2) 36 (48) 44-39-43-35-32 (37 (49) 45-39) 42-24-46 (35) 38-34 (54-55 (8,9) 40 (3,4) 5) 33 (47) 31 (47) 31 (53-58) 23-52) 6-13-11-11-10-12-14-26,27-15-19-29 (50-6) 20-16-27) 28-17-21-30 (51-7) 22-18-28/H10-22,24-25,31,33-34,38,47H, 23H2,1-9h3, (H2,43,43,4,4,455,
48,49)/T31-, 33-, 34-, 38-/M1/S1
Inchi sleutel
Jmcnkjfoijgyrg-cjegosrcsa-n
1 andere naam voor deze stof
5′-O- [bis (4-methoxyfenyl) fenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] -N- (2-methyl-1-oxopropyl) guanosine (ACI) (ACI)
Spectra beschikbaar
1H NMR
13c NMR
Massa
| Eigenschappen beschikbaar |
| Biologisch |
| Chemisch |
| Dikte |
| Lipinski |
| Structuur gerelateerd |
Biologisch
| Eigendom | Waarde | Voorwaarde | Bron |
| Bioconcentratiefactor | 1.38 x 105 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 3,53 x 105 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 4.18 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 4.26 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 4.26 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 4.26 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 4.21 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 3.77 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1,86 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 33800 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Chemisch
| Eigendom | Waarde | Voorwaarde | Bron |
| KOC | 1.21 x 105 | pH 1; Temp: 25 ° C | (1) ACD |
| KOC | 3.08 x 105 | pH 2; Temp: 25 ° C | (1) ACD |
| KOC | 3,65 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
| KOC | 3.72 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| KOC | 3.73 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| KOC | 3.72 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| KOC | 3,68 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| KOC | 3.30 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| KOC | 1.62 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| KOC | 29600 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 7.22 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | 7.63 | pH 2; Temp: 25 ° C | (1) ACD |
| logd | 7.70 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | 7.71 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 7.71 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 7.71 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 7.70 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 7.66 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 7.35 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 6.61 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 7.710 ± 0,709 | Temp: 25 ° C | (1) ACD |
| Massale intrinsieke oplosbaarheid | 2.7 x 10-5 g/l | Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 8,5 x 10-5 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.3 x 10-5 g/l | pH 2; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 2,8 x 10-5 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 2.7 x 10-5 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 2.7 x 10-5 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 2.7 x 10-5 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 2,8 x 10-5 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.1 x 10-5 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 6.2 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 | 2,8 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 | 1.1 x 10-7 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 4.3 x 10-8 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.6 x 10-8 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3,5 x 10-8 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3,5 x 10-8 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Molaire oplosbaarheid | 3,5 x 10-8 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.6 x 10-8 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 4,0 x 10-8 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 8.1 x 10-8 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 4.5 x 10-7 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.6 x 10-8 mol/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 769.96 | ||
| pka | 9,16 ± 0,20 | Meest zure temperatuur: 25 ° C | (1) ACD |
| pka | 1,73 ± 0,10 | Meest basistemperatuur: 25 ° C | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Dikte
| Eigendom | Waarde | Voorwaarde | Bron |
| Dikte | 1,25 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molair volume | 615,5 ± 7,0 cm3/mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eigendom | Waarde | Voorwaarde | Bron |
| Vrij roteerbare bindingen | 14 | (1) ACD | |
| H ACCEPTORS | 13 | (1) ACD | |
| H Donoren | 3 | (1) ACD | |
| H Donor/Acceptor -som | 16 | (1) ACD | |
| logp | 7.710 ± 0,709 | Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 769.96 |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Structuur gerelateerd
| Eigendom | Waarde | Voorwaarde | Bron |
| Pooloppervlak | 155 A2 | (1) ACD | |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Spectra beschikbaar
1H NMR
13c NMR
![C53H66N7O8PSI CAS NR.: 104992-55-4 Adenosine, N-benzoyl-5 ′ -O- [bis (4-methoxyfenyl) fenylmethyl] -2 ′-O- [(1,1-dimethylethyl) dimethylsilyl]-, 3 ′-[2-Cyanoethyl N, N-Bis (1-Methylthyl) ...](https://cdn.globalso.com/nvchem/C53H66N7O8PSi-300x300.png)
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![C31H32N2O8 uridine, 5′-O- [BIS (4-methoxyfenyl) fenylmethyl] -2′-O-methyl- (9C I, ACI)](https://cdn.globalso.com/nvchem/C31H32N2O8-Uridine-300x300.jpg)
![C41H43N3O9 Cytidine, N-Benzoyl-5′-O- [BIS (4-methoxyfenyl) fenylmethyl] -2′-O- (2-methoxyethyl) -5-methyl- (9CI, ACI) H335, H319, H315, H315](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine-300x300.jpg)