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C31H32N2O8 Uridin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl- (9C I, ACI)
| Schlëssel kierperlech Eegeschaften | Wäert | Zoustand |
| Molekulare Gewiicht | 560,60 | - |
| Dicht (virausgesot) | 1,35 ± 0,1 g/cm3 | Temperatur: 20 °C; Press: 760 Torr |
| pKa (virausgesot) | 9,39 ± 0,10 | Déi meescht sauer Temperatur: 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
Isomeresch SMILES 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 Schlëssel
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Aner Nimm fir dës Substanz
5'-O-[Bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyluridin (ACI); 5'-O-(4,4'-Dimethoxytrityl)-2'-O-methyluridin
Spektrum verfügbar
1H NMR
Mass
| Eegeschafte verfügbar |
| Biologesch |
| Chemesch |
| Dicht |
| Lipinski |
| Struktur Zesummenhang |
Biologesch
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 1240 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1240 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1240 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1240 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1240 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1240 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1230 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1190 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 861 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 238 | pH 10; Temperatur: 25 °C | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemesch
| Immobilie | Wäert | Zoustand | Quell |
| Koc | 5 690 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 5 690 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 5 690 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 5 690 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 5 690 | pH 5; Temperatur: 25 °C | (1) ACD |
| Koc | 5 690 | 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 |
| Immobilie | Wäert | Zoustand | Quell |
| Koc | 3960 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 1100 | pH 10; Temperatur: 25 °C | (1) ACD |
| log D | 4,37 | pH 1; Temperatur: 25 °C | (1) ACD |
| log D | 4,37 | pH 2; Temperatur: 25 °C | (1) ACD |
| log D | 4,37 | pH 3; Temperatur: 25 °C | (1) ACD |
| log D | 4,37 | pH 4; Temperatur: 25 °C | (1) ACD |
| log D | 4,37 | pH 5; Temperatur: 25 °C | (1) ACD |
| log D | 4,37 | pH 6; Temperatur: 25 °C | (1) ACD |
| log D | 4,37 | pH 7; Temperatur: 25 °C | (1) ACD |
| log D | 4,35 | pH 8; Temperatur: 25 °C | (1) ACD |
| log D | 4.21 | pH 9; Temperatur: 25 °C | (1) ACD |
| log D | 3,66 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 4,372±0,582 | Temperatur: 25 °C | (1) ACD |
| Mass Intrinsesch Solubilitéit | 3,7 x 10-4 g/L | Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,7 x 10-4 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,7 x 10-4 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,7 x 10-4 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,7 x 10-4 g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,7 x 10-4 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,7 x 10-4 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,7 x 10-4 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,8 x 10-4 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 5,3 x 10-4 g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,9 x 10-3 g/l | pH 10; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,7 x 10-4 g/L | Ongebuffert Waasser pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molar Intrinsesch Solubilitéit | 6,6 x 10-7 mol/l | Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 6,6 x 10-7 mol/l | pH 1; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 6,6 x 10-7 mol/l | pH 2; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 6,6 x 10-7 mol/l | pH 3; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 6,6 x 10-7 mol/l | pH 4; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 6,6 x 10-7 mol/l | pH 5; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 6,6 x 10-7 mol/l | pH 6; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Molar Solubilitéit | 6,6 x 10-7 mol/l | pH 7; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 6,8 x 10-7 mol/l | pH 8; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 9,4 x 10-7 mol/l | pH 9; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 3,4 x 10-6 mol/l | pH 10; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 6,6 x 10-7 mol/l | Ongebuffert Waasser pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 560,60 | ||
| pKa | 9,39 ± 0,10 | Déi meescht sauer Temperatur: 25 °C | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dicht
| Immobilie | Wäert | Zoustand | Quell |
| Dicht | 1,35 ± 0,1 g/cm3 | Temperatur: 20 °C; Press: 760 Torr | (1) ACD |
| Molar Volumen | 412,9 ± 5,0 cm3/mol | Temperatur: 20 °C; Press: 760 Torr | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Immobilie | Wäert | Zoustand | Quell |
| Fräi rotéierbar Obligatiounen | 11 | (1) ACD | |
| H Akzepter | 10 | (1) ACD | |
| H Donateuren | 2 | (1) ACD | |
| H Donateur / Akzeptanz Zomm | 12 | (1) ACD | |
| logP | 4,372±0,582 | Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 560,60 |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktur Zesummenhang
| Immobilie | Wäert | Zoustand | Quell |
| Polar Fläch Beräich | 116 A2 | (1) ACD | |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektrum verfügbar
1H NMR
13C NMR
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