![C30H30N2O8 uridine, 5′-O- [bis (4-methoxyfenyl) fenylmethyl]-(9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H30N2O8 uridine, 5′-O- [bis (4-methoxyfenyl) fenylmethyl]-(9ci, ACI) Afbeelding](https://cdn.globalso.com/nvchem/C30H30N2O8-Uridine.jpg)
C30H30N2O8 uridine, 5′-O- [bis (4-methoxyfenyl) fenylmethyl]-(9ci, aci)
| Belangrijkste fysieke eigenschappen | Waarde | Voorwaarde |
| Molecuulgewicht | 546.57 | - |
| Smeltpunt (experimenteel) | 111-112 ° C | Oplosmiddel: ethylacetaat |
| Dichtheid (voorspeld) | 1,343 ± 0,06 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) C2O
Isomere glimlach c (oc [c@h] 1o [c@h] ([c@h] (o) [c @@ h] 1o) n2c (= o) nc (= o) c = c2) (c3 = cc = c (oc) c = c3) (c4 = cc = c (oc) c = c4) cc = cc = cc = cc = cc = cc = c5
Inchi
Inchi = 1S/C30H30N2O8/C1-37-22-12-8-20 (9-13-22) 30 (19-6-4-3-5-5-7-19,21-10-14-23 (38-2) 15-11-21) 39-18-24-26 (34) 27 (35) 28 (40-24) 32-
17-16-25 (33) 31-29 (32) 36/H3-17,24,26-28,34-35H, 18H2,1-2H3, (H, 31,33,36)/T24-, 26-, 27-, 28-/M1/S1
Inchi sleutel
Pcfsnqyxxacuhm-yuloidqlsa-n
4 andere namen voor deze stof
5′-O- [bis (4-methoxyfenyl) fenylmethyl] uridine (ACI); Uridine, 5′-O- [α, α-bis (p-methoxyfenyl) benzyl]-(7ci); 5'-dimethoxytrityl uridine; 5′-O- (4,4'-dimethoxytrityl) uridine
| Eigenschappen beschikbaar |
| Thermisch |
Thermisch
| Eigendom | Waarde | Voorwaarde | Bron | |
| Smeltpunt | 122-123 ° C | (1) CAS | ||
| Smeltpunt | 111-112 ° C | Oplosmiddel: | Ethylacetaat | (2) CAS |
| Smeltpunt | Zie volledige tekst | (3) CAS | ||
(1) Zekri, Negar; Bulletin of the Chemical Society of Ethiopia, (2010), 24 (2), 299-304, Caplus
(2) Patil, Premanand Ramrao; Journal of Carbohydate Chemistry, (2008), 27 (5), 279-293, Caplus
(3) Khalafi-Nezhad, Ali; Tetrahedron Letters, (2004), 45 (36), 6737-6739, caplus
Spectra beschikbaar
1H NMR
13c NMR
Massa
| Eigenschappen beschikbaar |
| Biologisch |
| Chemisch |
| Dikte |
| Lipinski |
| Structuur gerelateerd |
Biologisch
| Eigendom | Waarde | Voorwaarde | Bron |
| Bioconcentratiefactor | 904 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 904 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 904 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 904 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 904 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 904 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 900 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 861 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 602 | pH 9; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Bioconcentratiefactor | 156 | 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 | 4550 | pH 1; Temp: 25 ° C | (1) ACD |
| KOC | 4550 | pH 2; Temp: 25 ° C | (1) ACD |
| KOC | 4550 | pH 3; Temp: 25 ° C | (1) ACD |
| KOC | 4550 | pH 4; Temp: 25 ° C | (1) ACD |
| KOC | 4550 | pH 5; Temp: 25 ° C | (1) ACD |
| KOC | 4540 | pH 6; Temp: 25 ° C | (1) ACD |
| KOC | 4520 | pH 7; Temp: 25 ° C | (1) ACD |
| KOC | 4330 | pH 8; Temp: 25 ° C | (1) ACD |
| KOC | 3030 | pH 9; Temp: 25 ° C | (1) ACD |
| KOC | 785 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 4.19 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | 4.19 | pH 2; Temp: 25 ° C | (1) ACD |
| logd | 4.19 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | 4.19 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 4.19 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 4.19 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 4.19 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 4.17 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 4.02 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 3.43 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 4.192 ± 0,628 | Temp: 25 ° C | (1) ACD |
| Massale intrinsieke oplosbaarheid | 3.2 x 10-4 g/l | Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.2 x 10-4 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.2 x 10-4 g/l | pH 2; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.2 x 10-4 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 | 3.2 x 10-4 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.2 x 10-4 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.2 x 10-4 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Massale oplosbaarheid | 3.3 x 10-4 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 4,8 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 | 3.2 x 10-4 g/l | Ongebufferde water pH 6,99; Temp: 25 ° C | (1) ACD |
| Molaire intrinsieke oplosbaarheid | 5.8 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5.8 x 10-7 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5.8 x 10-7 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5.8 x 10-7 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5.8 x 10-7 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5.8 x 10-7 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5.8 x 10-7 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5.8 x 10-7 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 6.1 x 10-7 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 8,7 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 | 5.8 x 10-7 mol/l | Ongebufferde water pH 6,99; Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 546.57 | ||
| 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 | 1,343 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molair volume | 406,9 ± 3,0 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 | 3 | (1) ACD | |
| H Donor/Acceptor -som | 13 | (1) ACD | |
| logp | 4.192 ± 0,628 | Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Molecuulgewicht | 546.57 | ||
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Structuur gerelateerd
| Eigendom | Waarde | Voorwaarde | Bron |
| Pooloppervlak | 127 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
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