![C42H52N5O9P cytidine, N-acetyl-5 ′ -O- [BIS (4-methoxyfenyl) fenylmethyl] -2 ′ -Othyl-, 3 '-[2-cyanoethyl N, N-Bis (1-methylethyl) fosforamidiet] (aci) (aci) (aci) (aci) (aci) (aci) (aci) (aci) (aci) (aci) (aci) (aci).](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C42H52N5O9P cytidine, N-acetyl-5 ′ -O- [bis (4-methoxyfenyl) fenylmethyl] -2 ′ -ODOyl-, 3 '-[2-cyanoethyl N, N-Bis (1-methylethyl) fosforamidiet] (aci) beleefde beeldbeeldbeeldbeeld.](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine.png)
C42H52N5O9P cytidine, N-acetyl-5 ′ -O- [BIS (4-methoxyfenyl) fenylmethyl] -2 ′ -Othyl-, 3 '-[2-cyanoethyl N, N-Bis (1-methylethyl) fosforamidiet] (aci) (aci) (aci) (aci) (aci) (aci) (aci) (aci) (aci) (aci) (aci) (aci).
CAS -registernummer
199593-09-4
| Belangrijkste fysieke eigenschappen | Waarde | Voorwaarde |
| Molecuulgewicht | 801.87 | - |
| PKA (voorspeld) | 10.18 ± 0,20 | Meest zure temperatuur: 25 ° C |
Canonieke glimlachen
N#CCCOP(OC1C(OC(N2C=CC(= NC2=O)NC(=O)C)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)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) N2C (= O) N = C (NC (C) = O) C = C2) (C3 = C3 = 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) (OC) (C3) (C4 = CC3). = C (OC) C = C4) C5 = CC = CC = C5
Inchi
Inchi = 1S/C42H52N5O9P/C1-28 (2) 47 (29 (3) 4) 57 (54-26-12-24-43) 56-38-36 (55-40 (39 (38) 52-8) 46-25-23-37 (44-30 (5) 48) 48) 45-41 (46) 49) 27-53333 -42 (31-13-10-9-11-14-31,32-15-19-34 (50-6) 20-16-32) 33-17-21-35 (51-7) 22-18-33/h9-11,13-23,25,28-29,36,38-40h, 12,26-27h2,201-8h3, ( H, 44,45,48,49)/T36-, 38-, 39-, 40-, 57?/M1/S1
Inchi sleutel
WnwumipfloKtez-uaqipllrsa-n
1 andere naam voor deze stof
Cytidine,N-Acetyl -5 ′ -O-[bis (4-methoxyfenyl) fenylmethyl] -2 ′-O-Methyl-, 3 '-[2-cyanoethylbis (1-methylethyl) fosforamidiet] (9ci)
Eigenschappen beschikbaar
Biologisch
Chemisch
Lipinski
Structuur gerelateerd
| Eigendom | Waarde | Voorwaarde | Bron |
| Bioconcentratiefactor | 4.77 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 50.1 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 2190 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 21700 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 35700 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 37800 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 37900 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 37300 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 31400 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 12300 | 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 8.29 pH 1; Temp: 25 ° C (1) ACD |
| KOC 87.1 pH 2; Temp: 25 ° C (1) ACD |
| KOC 3800 pH 3; Temp: 25 ° C (1) ACD |
| KOC 37700 pH 4; Temp: 25 ° C (1) ACD |
| KOC 62000 pH 5; Temp: 25 ° C (1) ACD |
| KOC 65700 pH 6; Temp: 25 ° C (1) ACD |
| KOC 65900 pH 7; Temp: 25 ° C (1) ACD |
| KOC 64700 pH 8; Temp: 25 ° C (1) ACD |
| KOC 54500 pH 9; Temp: 25 ° C (1) ACD |
| KOC 21400 pH 10; Temp: 25 ° C (1) ACD |
| LOGD 2.43 pH 1; Temp: 25 ° C (1) ACD |
| LOGD 3,45 pH 2; Temp: 25 ° C (1) ACD |
| LOGD 5.09 pH 3; Temp: 25 ° C (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| logd | 6.09 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 6.30 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 6.33 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 6.33 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 6.32 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 6.25 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 5.84 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 6.329 ± 0,771 | Temp: 25 ° C | (1) ACD |
| Massale intrinsieke oplosbaarheid | 1.8 x 10-4 g/l | Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.4 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,14 g/l | pH 2; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.1 x 10-3 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.2 x 10-4 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.9 x 10-4 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.8 x 10-4 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.8 x 10-4 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.8 x 10-4 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 2.2 x 10-4 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 5.6 x 10-4 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.8 x 10-4 g/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molaire intrinsieke oplosbaarheid | 2.3 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,8 x 10-3 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1.7 x 10-4 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.9 x 10-6 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 4.0 x 10-7 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 2,4 x 10-7 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 2.3 x 10-7 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 2.3 x 10-7 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 2.3 x 10-7 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 2,8 x 10-7 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 7.0 x 10-7 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 2.3 x 10-7 mol/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Molecuulgewicht | 801.87 | ||
| pka | 10.18 ± 0,20 | Meest zure temperatuur: 25 ° C | (1) ACD |
| pka | 3,57 ± 0,20 | 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 | 18 | (1) ACD | |
| H ACCEPTORS | 14 | (1) ACD | |
| H Donoren | 1 | (1) ACD | |
| H Donor/Acceptor -som | 15 | (1) ACD | |
| logp | 6.329 ± 0,771 | Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 801.87 |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Conditiebron |
| Pooloppervlak | 167 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)
![118 RE36H44N2O8SI URIDINE, 5′-O- [BIS (4-methoxyfenyl) fenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl]-(9CI, ACI)](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine-300x300.jpg)
![L-ornithinamide, l-valyl-N5- (aminocarbonyl) -n- [4- (hydroxymethyl) fenyl]-(9ci, aci) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide-300x300.jpg)
![C44H49N5O7SI adenosine, N-benzoyl-5′-O- [BIS (4-methoxyfenyl) fenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl]-(9ci, aci)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)
