![C34H39N3O8 cytidine, 5′-O- [BIS (4-methoxyfenyl) fenylmethyl] -2′-O- (2-methox yethyl) -5-methyl- (9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C34H39N3O8 cytidine, 5′-OO-[BIS (4-methoxyyphenyl) fenylmethyl] -2′-O- (2-methox yethyl) -5-methyl- (9ci, aci)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine.jpg)
C34H39N3O8 cytidine, 5′-O- [BIS (4-methoxyfenyl) fenylmethyl] -2′-O- (2-methox yethyl) -5-methyl- (9ci, aci)
| Belangrijkste fysieke eigenschappen | Waarde | Voorwaarde |
| Molecuulgewicht | 617.69 | - |
| Kookpunt (voorspeld) | 762,6 ± 70,0 ° C | Press: 760 Torr |
| Dichtheid (voorspeld) | 1,27 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (voorspeld) | 13,31 ± 0,70 | Meest zure temperatuur: 25 ° C |
Canonical Smiles O = C1N = C (N) C (= CN1C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2occoc) C (O) C2occoc) C (O) C2occoc) C (O) C (O) C (O) C (O) C (O) C (O) C (O) C (O) C (O) C (O) C (O) C (O)
Isomere glimlach C (OC [C@H] 1O [C@H] ([C@H] (OccoC) [C @@ H] 1o) N2C (= O) N = C (N) C (C) = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = Cc = Cc = Cc = Cc = Cc = Cc = Cc = Cc = Cc = Cc = Cc = Cc = CC5
Inchi
Inchi = 1S/C34H39N3O8/C1-22-20-37 (33 (39) 36-31 (22) 35) 32-30 (43-19-18-40-2) 29 (38) 28 (45-32) 21-44-34 (23-8-6-6-6-7-7-23 1-3) 15-11-24) 25-12-16-27 (42-4) 17-13-25/H5-17,20,28-30,32,38H, 18-19,21H2,1-4H3, (H2,35,36,39)/T28-, 29-, 30-, 32-/M1/S1
Inchi sleutel
Lyktvjjxzqtnpk-pbamlimusa-n
24 andere namen voor deze stof
5′-O- [bis (4-methoxyfenyl) fenylmethyl] -2′-O- (2-methoxyethyl) -5-methylcytidine (ACI); 11: PN: US20030170636 Pagina: 17 Claimed RNA; 12: PN: US20030211606 Pagina: 18 Claimed R NA; 12: PN: US20030212017 Pagina: 19 Claimed R NA; 14: PN: US20040005569 PAG E: 21 Claimed R NA; 15: PN: US20040005565 Pagina: 17-22 22 Claimed RNA; 15: PN: US20040005570 Pagina: 19 Claimed R NA; 15: PN: U S20040006030 Pagina: 22 Claimed R NA; 15: PN: US20040014048 Pagina: 19 Claimed R NA; 16: PN: US20030171313 Pagina: 9 Claimed RNA; 16: PN: US20030198965 Pagina: 19 Claimed R NA; 16: PN: US20040014047 Pagina: 19 Claimed R NA; 16: PN: US20040014049 Pagina:
19 beweerde RNA; 17: PN: US20040014051 Pagina: 21 Claimed R NA; 17: PN: US20040014699 Pagina: 19 Claimed R NA; 17: PN: W
O03106645 Pagina: 69 Claimed r Na; 18: PN: US20040006029 Pagina: 22 Claimed R NA; 2′-O-methoxyethyl-5′-O-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 Pagina: 15 Claimed R NA; 5: PN: WO2005006958 Pagina: 61 Claimed R NA; 7: PN: WO20050 07825 Pagina: 61 Claimed R NA; 82: PN: US20040171566 Pagina: 18 Claimed R NA; 89: PN: US20040005707 PAGINA: 19 Claimed R NA; 9: PN: WO03084478 Pagina: 56 Claimed R NA
| Eigenschappen beschikbaar |
| Biologisch |
| Chemisch |
| Dikte |
| Lipinski |
| Structuur gerelateerd |
| Thermisch |
Biologisch
| Eigendom | Waarde | Voorwaarde | Bron |
| Bioconcentratiefactor | 1.56 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.99 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 6.19 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 38.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 116 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 146 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 150 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 151 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 151 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 151 | 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 | 13.0 | pH 1; Temp: 25 ° C | (1) ACD |
| KOC | 16.6 | pH 2; Temp: 25 ° C | (1) ACD |
| KOC | 51.8 | pH 3; Temp: 25 ° C | (1) ACD |
| KOC | 318 | pH 4; Temp: 25 ° C | (1) ACD |
| KOC | 966 | pH 5; Temp: 25 ° C | (1) ACD |
| KOC | 1220 | pH 6; Temp: 25 ° C | (1) ACD |
| KOC | 1260 | pH 7; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| KOC | 1260 | pH 8; Temp: 25 ° C | (1) ACD |
| KOC | 1260 | pH 9; Temp: 25 ° C | (1) ACD |
| KOC | 1260 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 1.18 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | 1.29 | pH 2; Temp: 25 ° C | (1) ACD |
| logd | 1.78 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | 2.57 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 3.05 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 3.16 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 3.17 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 3.17 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 3.17 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 3.17 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 3.169 ± 0,598 | Temp: 25 ° C | (1) ACD |
| Massale intrinsieke oplosbaarheid | 5.2 x 10-3 g/l | Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,51 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,40 g/l | pH 2; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,13 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,020 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 6,8 x 10-3 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 5.4 x 10-3 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 5.3 x 10-3 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 5.2 x 10-3 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 5.2 x 10-3 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 5.2 x 10-3 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 5.3 x 10-3 g/l | Ongebufferde water pH 7,05; Temp: 25 ° C | (1) ACD |
| Molaire intrinsieke oplosbaarheid | 8,4 x 10-6 mol/l | Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 8.2 x 10-4 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 6,4 x 10-4 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 2.1 x 10-4 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.3 x 10-5 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1.1 x 10-5 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Molaire oplosbaarheid | 8,7 x 10-6 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 8,5 x 10-6 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 8,4 x 10-6 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 8,4 x 10-6 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 8,4 x 10-6 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 8,5 x 10-6 mol/l | Ongebufferde water pH 7,05; Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 617.69 | ||
| pka | 13,31 ± 0,70 | Meest zure temperatuur: 25 ° C | (1) ACD |
| pka | 4,58 ± 0,10 | Meest basistemperatuur: 25 ° C | (1) ACD |
| Dampdruk | 1.89 x 10-24 TORR | Temp: 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 | 1,27 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molair volume | 483,8 ± 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 | 11 | (1) ACD | |
| H Donoren | 3 | (1) ACD | |
| H Donor/Acceptor -som | 14 | (1) ACD | |
| logp | 3.169 ± 0,598 | Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 617.69 |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Structuur gerelateerd
| Eigendom | Waarde | Voorwaarde | Bron |
| Pooloppervlak | 134 A2 | (1) ACD | |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Thermisch
| Eigendom | Waarde | Voorwaarde | Bron |
| Kookpunt | 762,6 ± 70,0 ° C | Press: 760 Torr | (1) ACD |
| Enthalpie van verdamping | 116,53 ± 3,0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flitspunt | 415,0 ± 35,7 ° C | (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
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