![C31H32N2O8 uridine, 5′-O- [BIS (4-methoxyfenyl) fenylmethyl] -2′-O-methyl- (9C I, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H32N2O8 uridine, 5′-O- [bis (4-methoxyfenyl) fenylmethyl] -2′-o-methyl- (9c i, aci)](https://cdn.globalso.com/nvchem/C31H32N2O8-Uridine.jpg)
C31H32N2O8 uridine, 5′-O- [BIS (4-methoxyfenyl) fenylmethyl] -2′-O-methyl- (9C I, ACI)
| Belangrijkste fysieke eigenschappen | Waarde | Voorwaarde |
| Molecuulgewicht | 560.60 | - |
| Dichtheid (voorspeld) | 1,35 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (voorspeld) | 9,39 ± 0,10 | Meest zure temperatuur: 25 ° C |
Canonical Smiles O = C1C = CN (C (= O) N1) C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2OC
Isomere glimlach c (oc [c@h] 1o [c@h] ([c@h] (oc) [c @@ h] 1o) n2c (= o) nc (= o) 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 = c5
Inchi
Inchi = 1S/C31H32N2O8/C1-37-23-13-9-21 (10-14-23) 31 (20-7-5-5-4-6-8-20,22-11-15-24 (38-2) 16-12-22) 40-19-25-27 (35) 28 (39-3) 29 (41-25)
33-18-17-26 (34) 32-30 (33) 36/H4-18,25,27-29,35H, 19H2,1-3H3, (H, 32,34,36)/T25-, 27-, 28-, 29-/M1/S1
Inchi sleutel
Mfdhavfjdsrpkc-yxinzvnlsa-n
2 andere namen voor deze stof
5′-O- [bis (4-methoxyfenyl) fenylmethyl] -2′-O-methyluridine (ACI); 5′-O- (4,4′-dimethoxytrityl) -2′-O-methyluridine
Spectra beschikbaar
1H NMR
Massa
| Eigenschappen beschikbaar |
| Biologisch |
| Chemisch |
| Dikte |
| Lipinski |
| Structuur gerelateerd |
Biologisch
| Eigendom | Waarde | Voorwaarde | Bron |
| Bioconcentratiefactor | 1240 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1240 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1240 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1240 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1240 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1240 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1230 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1190 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 861 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 238 | 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 | 5690 | pH 1; Temp: 25 ° C | (1) ACD |
| KOC | 5690 | pH 2; Temp: 25 ° C | (1) ACD |
| KOC | 5690 | pH 3; Temp: 25 ° C | (1) ACD |
| KOC | 5690 | pH 4; Temp: 25 ° C | (1) ACD |
| KOC | 5690 | pH 5; Temp: 25 ° C | (1) ACD |
| KOC | 5690 | pH 6; Temp: 25 ° C | (1) ACD |
| KOC | 5670 | pH 7; Temp: 25 ° C | (1) ACD |
| KOC | 5450 | pH 8; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| KOC | 3960 | pH 9; Temp: 25 ° C | (1) ACD |
| KOC | 1100 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 4.37 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | 4.37 | pH 2; Temp: 25 ° C | (1) ACD |
| logd | 4.37 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | 4.37 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 4.37 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 4.37 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 4.37 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 4.35 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 4.21 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 3.66 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 4.372 ± 0,582 | Temp: 25 ° C | (1) ACD |
| Massale intrinsieke oplosbaarheid | 3.7 x 10-4 g/l | Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.7 x 10-4 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.7 x 10-4 g/l | pH 2; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.7 x 10-4 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.7 x 10-4 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.7 x 10-4 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.7 x 10-4 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.7 x 10-4 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.8 x 10-4 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 5.3 x 10-4 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.9 x 10-3 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.7 x 10-4 g/l | Ongebufferde water pH 6,99; Temp: 25 ° C | (1) ACD |
| Molaire intrinsieke oplosbaarheid | 6,6 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 6,6 x 10-7 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 6,6 x 10-7 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 6,6 x 10-7 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 6,6 x 10-7 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 6,6 x 10-7 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 6,6 x 10-7 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Molaire oplosbaarheid | 6,6 x 10-7 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 6,8 x 10-7 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 9,4 x 10-7 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3,4 x 10-6 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 6,6 x 10-7 mol/l | Ongebufferde water pH 6,99; Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 560.60 | ||
| pka | 9,39 ± 0,10 | Meest zure temperatuur: 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 | 1,35 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molair volume | 412,9 ± 5,0 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 | 11 | (1) ACD | |
| H ACCEPTORS | 10 | (1) ACD | |
| H Donoren | 2 | (1) ACD | |
| H Donor/Acceptor -som | 12 | (1) ACD | |
| logp | 4.372 ± 0,582 | Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 560.60 |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Structuur gerelateerd
| Eigendom | Waarde | Voorwaarde | Bron |
| Pooloppervlak | 116 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
![C39H37N5O7 adenosine, N-benzoyl-5′-O- [bis (4-methoxyfenyl) fenylmethyl] -2′- O-methyl- (9ci, aci)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C48H54N7O8P adenosine, N-benzoyl-5 ′ -O- [BIS (4-methoxyfenyl) fenylmethyl] -2 ′-O-methyl-, 3 ′-[2-cyanoethyl N, N-Bis (1-methylethyl) fosfor amidiet] (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci) (Aci)](https://cdn.globalso.com/nvchem/C48H54N7O8P-300x300.png)
![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)
![C41H39NO6 1-pyrrolidinecarbonzuur, 2-[[BIS (4-methoxyfenyl) fenylm Ethoxy] methyl] -4-hydroxy-, 9h-fluoren-9-ylmethylester, (2S, 4R)-(9 ci, aci)](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid-300x300.jpg)
![C41H41N5O8 adenosine, N-benzoyl-5′-O- [bis (4-methoxyfenyl) fenylmethyl] -2′- O- (2-methoxyethyl)-(9ci, aci)](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine-300x300.jpg)
![C44H53FN7O8 guanosine, 5 ′ -O- [bis (4-methoxyfenyl) fenylmethyl] -2 ′ -deoxy-2 ′-fluor-N- (2-methyl-1-oxopropyl)-, 3 ′-[2-cyanoethyl N, N-bis (1-Methyl Ethyl) Phosphoramidite] (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (ACI)](https://cdn.globalso.com/nvchem/C44H53FN7O8-300x300.png)