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C31H32N2O8 Uridine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl- (9C I, ACI)
| Key Physical Properties | Wearde | Betingst |
| Molekulêr gewicht | 560,60 | - |
| Tichtheid (foarsein) | 1,35±0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (foarsein) | 9,39±0,10 | Meast soere Temp: 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 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 Key
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Oare nammen foar dizze stof
5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyluridine (ACI); 5'-O-(4,4'-Dimethoxytrityl)-2'-O-methyluridine
Spectra beskikber
1H NMR
Mis
| Eigenskippen beskikber |
| Biologysk |
| Gemysk |
| Tichtheid |
| Lipinski |
| Struktuer Related |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 1240 | pH 1; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1240 | pH 2; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1240 | pH 3; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1240 | pH 4; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1240 | pH 5; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1240 | pH 6; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1230 | pH 7; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1190 | pH 8; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 861 | pH 9; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 238 | pH 10; Temp: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Gemysk
| Besit | Wearde | Betingst | Boarne |
| 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 |
| Besit | Wearde | Betingst | Boarne |
| 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 |
| Mass Intrinsic Solubility | 3,7 x 10-4 g/L | Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,7 x 10-4 g/L | pH 1; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,7 x 10-4 g/L | pH 2; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,7 x 10-4 g/L | pH 3; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,7 x 10-4 g/L | pH 4; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,7 x 10-4 g/L | pH 5; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,7 x 10-4 g/L | pH 6; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,7 x 10-4 g/L | pH 7; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,8 x 10-4 g/L | pH 8; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 5,3 x 10-4 g/L | pH 9; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 1,9 x 10-3 g/L | pH 10; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,7 x 10-4 g/L | Unbuffered wetter pH 6,99; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 6,6 x 10-7 mol/L | Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 6,6 x 10-7 mol/L | pH 1; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 6,6 x 10-7 mol/L | pH 2; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 6,6 x 10-7 mol/L | pH 3; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 6,6 x 10-7 mol/L | pH 4; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 6,6 x 10-7 mol/L | pH 5; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 6,6 x 10-7 mol/L | pH 6; Temp: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molêre oplosberens | 6,6 x 10-7 mol/L | pH 7; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 6,8 x 10-7 mol/L | pH 8; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 9,4 x 10-7 mol/L | pH 9; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 3,4 x 10-6 mol/L | pH 10; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 6,6 x 10-7 mol/L | Unbuffered wetter pH 6,99; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 560,60 | ||
| pKa | 9,39±0,10 | Meast soere Temp: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tichtheid
| Besit | Wearde | Betingst | Boarne |
| Tichtheid | 1,35±0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molar Volume | 412,9±5,0 cm3/mol | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Besit | Wearde | Betingst | Boarne |
| Frij draaibare obligaasjes | 11 | (1) ACD | |
| H Aksepteurs | 10 | (1) ACD | |
| H Donateurs | 2 | (1) ACD | |
| H Donor / Akseptor Sum | 12 | (1) ACD | |
| logP | 4.372±0.582 | Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 560,60 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktuer Related
| Besit | Wearde | Betingst | Boarne |
| Polar Surface Area | 116 A2 | (1) ACD | |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra beskikber
1H NMR
13C NMR
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