![C31H32N2O8 Uridin, 5'-O-[bis(4-metoxifenyl)fenylmetyl]-2'-O-metyl- (9C I, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C31H32N2O8 Uridin, 5'-O-[bis(4-metoxifenyl)fenylmetyl]-2'-O-metyl- (9C I, ACI)
| Viktiga fysiska egenskaper | Värde | Skick |
| Molekylvikt | 560,60 | - |
| Densitet (förutspådd) | 1,35±0,1 g/cm3 | Temp: 20°C; Tryck: 760 Torr |
| pKa (förutspådd) | 9,39±0,10 | Mest sura temperatur: 25 °C |
Kanoniska 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
Isomera LEENDE 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=C5
InChI
InChI=1S/C31H32N2O8/c1-37-23-13-9-21(10-14-23)31(20-7-5-4-6-8 -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-nyckel
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Andra namn för detta ämne
5'-0-[bis(4-metoxifenyl)fenylmetyl]-2'-0-metyluridin (ACI); 5'-O-(4,4'-dimetoxitrityl)-2'-O-metyluridin
Spectra tillgängliga
'H NMR
Massa
| Egenskaper tillgängliga |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelaterad |
Biologisk
| Egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 1240 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1240 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1240 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1240 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1240 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1240 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1230 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1190 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 861 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 238 | pH 10; Temperatur: 25 °C | (1) ACD |
(1) Beräknat med Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kemisk
| Egendom | Värde | Skick | Källa |
| Koc | 5690 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 5690 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 5690 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 5690 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 5690 | pH 5; Temperatur: 25 °C | (1) ACD |
| Koc | 5690 | pH 6; Temperatur: 25 °C | (1) ACD |
| Koc | 5670 | pH 7; Temperatur: 25 °C | (1) ACD |
| Koc | 5450 | pH 8; Temperatur: 25 °C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Koc | 3960 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 1100 | pH 10; Temperatur: 25 °C | (1) ACD |
| logD | 4,37 | pH 1; Temperatur: 25 °C | (1) ACD |
| logD | 4,37 | pH 2; Temperatur: 25 °C | (1) ACD |
| logD | 4,37 | pH 3; Temperatur: 25 °C | (1) ACD |
| logD | 4,37 | pH 4; Temperatur: 25 °C | (1) ACD |
| logD | 4,37 | pH 5; Temperatur: 25 °C | (1) ACD |
| logD | 4,37 | pH 6; Temperatur: 25 °C | (1) ACD |
| logD | 4,37 | pH 7; Temperatur: 25 °C | (1) ACD |
| logD | 4,35 | pH 8; Temperatur: 25 °C | (1) ACD |
| logD | 4.21 | pH 9; Temperatur: 25 °C | (1) ACD |
| logD | 3,66 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 4,372±0,582 | Temperatur: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 3,7 x 10-4 g/L | Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 3,7 x 10-4 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 3,7 x 10-4 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 3,7 x 10-4 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 3,7 x 10-4 g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 3,7 x 10-4 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 3,7 x 10-4 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 3,7 x 10-4 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 3,8 x 10-4 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 5,3 x 10-4 g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 1,9 x 10-3 g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 3,7 x 10-4 g/L | Obuffrat vatten pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molar inre löslighet | 6,6 x 10-7 mol/L | Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 6,6 x 10-7 mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 6,6 x 10-7 mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 6,6 x 10-7 mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 6,6 x 10-7 mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 6,6 x 10-7 mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 6,6 x 10-7 mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Molär löslighet | 6,6 x 10-7 mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 6,8 x 10-7 mol/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 9,4 x 10-7 mol/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 3,4 x 10-6 mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 6,6 x 10-7 mol/L | Obuffrat vatten pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molekylvikt | 560,60 | ||
| pKa | 9,39±0,10 | Mest sura temperatur: 25 °C | (1) ACD |
(1) Beräknat med Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Densitet
| Egendom | Värde | Skick | Källa |
| Densitet | 1,35±0,1 g/cm3 | Temp: 20°C; Tryck: 760 Torr | (1) ACD |
| Molar volym | 412,9±5,0 cm3/mol | Temp: 20°C; Tryck: 760 Torr | (1) ACD |
(1) Beräknat med Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Egendom | Värde | Skick | Källa |
| Fritt roterbara bindningar | 11 | (1) ACD | |
| H Acceptorer | 10 | (1) ACD | |
| H Donatorer | 2 | (1) ACD | |
| H Donator/Acceptor Summa | 12 | (1) ACD | |
| logP | 4,372±0,582 | Temperatur: 25 °C | (1) ACD |
| Molekylvikt | 560,60 |
(1) Beräknat med Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Strukturrelaterad
| Egendom | Värde | Skick | Källa |
| Polar yta | 116 A2 | (1) ACD | |
(1) Beräknat med Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra tillgängliga
'H NMR
13C NMR
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