![C50H60N5O10P Cytidine, N-benzoyl-5 ′ -O- [BIS (4-methoxyfenyl) fenylmethyl] -2 ′ -O- (2-methoxyethyl)-5-methyl-, 3 ′-[2-cyanoethyl N, N-Bis (1-methylethyl) fosforamidiet] (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)
![C50H60N5O10P cytidine, N-benzoyl-5 ′ -O- [BIS (4-methoxyfenyl) fenylmethyl] -2 ′ -O- (2-methoxyethyl)-5-methyl-, 3 ′-[2-CYLYETHYL N, N-BIS (1-METHYLTHYLTHYLIDE) Fosforamidiet] (Aci) Fosforamidiet] (Aci) Fosforamidiet] (Aci) Fosforamidiet] (Aci) Fosforamidiet] (Aci) Fosforamidiet] (Aci) Fosforamidiet] (Aci) Afbeelding.](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine.png)
C50H60N5O10P Cytidine, N-benzoyl-5 ′ -O- [BIS (4-methoxyfenyl) fenylmethyl] -2 ′ -O- (2-methoxyethyl)-5-methyl-, 3 ′-[2-cyanoethyl N, N-Bis (1-methylethyl) fosforamidiet] (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci).
CAS -registernummer
163759-94-2
| Belangrijkste fysieke eigenschappen | Waarde | Voorwaarde |
| Molecuulgewicht | 922.01 | - |
| PKA (voorspeld) | 8,59 ± 0,40 | Meest zure temperatuur: 25 ° C |
Canonieke glimlachen
N#CCCOP(OC1C(OC(N2C=C(C(= NC2=O)NC(=O)C=3C=CC=CC3)C)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C 6)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] (Occoc) [C @@ H] (O1) N2C (= O) N = C (NC (= O) C3 = CC = CC = CC3) = C) (C) (C2) (C4 = CC2) (C4 = CCC) (C4 = CC) (C4 = CC) (C4 = CC) (C4 = CC) (C4 = CC) (C4 = CC) (C4 = CC) (C4 = CC) (C4 = CC) (C4 = CC) (C4 = CC) (C4 = CC). = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Inchi
Inchi = 1S/C50H60N5O10P/C1-34 (2) 55 (35 (3) 4) 66 (63-29-15-28-51) 65-44-43 (33-62-50 (38-18-13-14-19-38,39-20-24-41 (59-7) 25-21-39 ) 40-22-26-42 (60-8) 27-23-40) 64-48 (45 (44) 61-31-30-58-6) 54-32-36 (5) 46 (53-49 (54) 57) 52-47 (56) 37-16-11-9-12-17-37-37-37/H9-14,16-27,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,32,3elijke 35,43-45,48H, 15,29-31,33H2,1-8H3, (H, 52,53,56,57)/T43-, 44-, 45-, 48-, 66?/M1/S1
Inchi sleutel
Fligvmliidvdsn-gicdfoiusa-n
26 Andere namen voor deze stof
Cytidine,N-benzoyl -5 ′ -O-[bis (4-methoxyfenyl) fenylmethyl] -2 ′-O-(2-methoxyethyl)-5-methyl-, 3 '-[2-cyanoethylbis (1-methylethyl) fosforamidiet] (9ci); 12: PN: WO03084478 Pagina: 57 Claimed DNA; 14: PN: US20030170636 Pagina: 17 Claimed DNA; 15: pn: u
S20030211606 Pagina: 19 Claimed DNA; 15: PN: US20030212017 Pagina: 19 Claimed DNA; 16: PN: US20040005569 Pagina: 22 Claimed DNA; 17: PN: US20040006030 Pagina: 23 Claimed DNA; 17: PN: US20040014049 Pagina: 20 Claimed DNA; 18: PN: US20040014047 PAG E: 20 Claimed DNA; 18: PN: US20040014048 Pagina: 20 Claimed DNA; 18: PN: US20040014050 Pagina: 20 Claimed DNA; 19: PN: U
S20030171313 Pagina: 9 Claimed DNA; 19: PN: US20030198965 Pagina: 20 Claimed DNA; 19: PN: US20040005565 Pagina: 17- 22 Claimed DNA; 19: PN: US20040005570 Pagina: 20 Claimed DNA; 19: PN: US20040014051 Pagina: 22 Claimed DNA; 20: PN: US20040014699 PAG
E: 20 geclaimd DNA; 21: PN: US20040006029 Pagina: 23 Claimed DNA; 21: PN: WO03106645 Pagina: 72 Claimed DNA; 61: PN: US20030
166592 Pagina: 15 Claimed DNA; 7: PN: WO2005006958 Pagina: 62 Claimed DNA; 84: PN: US20040171566 Pagina: 18 Claimed DNA; 92:
PN: US20040005707 Pagina: 20 Claimed DNA; 9: PN: WO2005007825 Pagina: 62 Claimed DNA;N4-benzoyl-2 ′-O-Methoxyethyl-5-O-Dimethoxytrityl-5-methylcytidine-3 '-fosforamidiet;N4-benzoyl-2 ′-O-Methoxyethyl -5 ′ -O-Dimethoxytrityl-5-methylcytidine-3 ′-amidite
Spectra beschikbaar
13 c nmr
Hetero NMR
Eigenschappen beschikbaar
Biologisch
Chemisch
Lipinski
Structuur gerelateerd
| Eigendom | Waarde | Voorwaarde | Bron |
| Bioconcentratiefactor | 171 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1250 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 47600 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 6.44 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1,00 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1,00 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1,00 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 7.79 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.63 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 30800 | 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 | 106 | pH 1; Temp: 25 ° C | (1) ACD |
| KOC | 773 | pH 2; Temp: 25 ° C | (1) ACD |
| KOC | 29500 | pH 3; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| KOC | 3,99 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| KOC | 8.02 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| KOC | 8.70 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| KOC | 8.16 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| KOC | 4.83 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| KOC | 1.01 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| KOC | 19100 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 4.48 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | 5.34 | pH 2; Temp: 25 ° C | (1) ACD |
| logd | 6.92 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | 8.06 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 8.36 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 8.39 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 8.37 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 8.14 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 7.46 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 6.73 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 8.401 ± 0,723 | Temp: 25 ° C | (1) ACD |
| Massale intrinsieke oplosbaarheid | 1.4 x 10-4 g/l | Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.1 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,16 g/l | pH 2; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 4.1 x 10-3 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.0 x 10-4 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1,5 x 10-4 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.4 x 10-4 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1,5 x 10-4 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 2.5 x 10-4 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.2 x 10-3 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 6.3 x 10-3 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1,5 x 10-4 g/l | Ongebufferde water pH 6,97; Temp: 25 ° C | (1) ACD |
| Molaire intrinsieke oplosbaarheid | 1,5 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1.2 x 10-3 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Molaire oplosbaarheid | 1.7 x 10-4 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 4,4 x 10-6 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.2 x 10-7 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1.6 x 10-7 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,5 x 10-7 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1.6 x 10-7 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 2.7 x 10-7 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,3 x 10-6 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 6,8 x 10-6 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1.6 x 10-7 mol/l | Ongebufferde water pH 6,97; Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 922.01 | ||
| pka | 8,59 ± 0,40 | Meest zure temperatuur: 25 ° C | (1) ACD |
| pka | 3,87 ± 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 | 22 | (1) ACD | |
| H ACCEPTORS | 15 | (1) ACD | |
| H Donoren | 1 | (1) ACD | |
| H Donor/Acceptor -som | 16 | (1) ACD | |
| logp | 8.401 ± 0,723 | Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 922.01 |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Conditiebron |
| Pooloppervlak | 176 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
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![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).](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine-300x300.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)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)
