C31H32N2O8 Wridin, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- (9C I, ACI)
Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
Pwysau Moleciwlaidd | 560.60 | - |
Dwysedd (Rhagweld) | 1.35 ± 0.1 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr |
pKa (Rhagweld) | 9.39±0.10 | Tymheredd Mwyaf Asidig: 25 °C |
Canonical GWENAU 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
Isomeric 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
Allwedd InChI
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Enwau Eraill ar y Sylwedd hwn
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyluridine (ACI); 5′-O- (4,4′-Dimethoxytrityl)-2′-O-methyluridine
Sbectra ar gael
1H NMR
Offeren
Eiddo ar gael |
Biolegol |
Cemegol |
Dwysedd |
Lipinski |
Strwythur Cysylltiedig |
Biolegol
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Ffactor Bio-ganolbwyntio | 1240 | pH 1; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 1240 | pH 2; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 1240 | pH 3; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 1240 | pH 4; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 1240 | pH 5; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 1240 | pH 6; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 1230 | pH 7; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 1190 | pH 8; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 861 | pH 9; Tymheredd: 25 °C | (1) ACD |
Ffactor Bio-ganolbwyntio | 238 | pH 10; Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Cemegol
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Koc | 5690 | pH 1; Tymheredd: 25 °C | (1) ACD |
Koc | 5690 | pH 2; Tymheredd: 25 °C | (1) ACD |
Koc | 5690 | pH 3; Tymheredd: 25 °C | (1) ACD |
Koc | 5690 | pH 4; Tymheredd: 25 °C | (1) ACD |
Koc | 5690 | pH 5; Tymheredd: 25 °C | (1) ACD |
Koc | 5690 | pH 6; Tymheredd: 25 °C | (1) ACD |
Koc | 5670 | pH 7; Tymheredd: 25 °C | (1) ACD |
Koc | 5450 | pH 8; Tymheredd: 25 °C | (1) ACD |
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Koc | 3960 | pH 9; Tymheredd: 25 °C | (1) ACD |
Koc | 1100 | pH 10; Tymheredd: 25 °C | (1) ACD |
logD | 4.37 | pH 1; Tymheredd: 25 °C | (1) ACD |
logD | 4.37 | pH 2; Tymheredd: 25 °C | (1) ACD |
logD | 4.37 | pH 3; Tymheredd: 25 °C | (1) ACD |
logD | 4.37 | pH 4; Tymheredd: 25 °C | (1) ACD |
logD | 4.37 | pH 5; Tymheredd: 25 °C | (1) ACD |
logD | 4.37 | pH 6; Tymheredd: 25 °C | (1) ACD |
logD | 4.37 | pH 7; Tymheredd: 25 °C | (1) ACD |
logD | 4.35 | pH 8; Tymheredd: 25 °C | (1) ACD |
logD | 4.21 | pH 9; Tymheredd: 25 °C | (1) ACD |
logD | 3.66 | pH 10; Tymheredd: 25 °C | (1) ACD |
logP | 4.372±0.582 | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Cynhenid Torfol | 3.7 x 10-4 g/L | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.7 x 10-4 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.7 x 10-4 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.7 x 10-4 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.7 x 10-4 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.7 x 10-4 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.7 x 10-4 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.7 x 10-4 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.8 x 10-4 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 5.3 x 10-4 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 1.9 x 10-3 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.7 x 10-4 g/L | Dŵr heb ei glustogi pH 6.99; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Cynhenid molar | 6.6 x 10-7 mol/L | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 6.6 x 10-7 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 6.6 x 10-7 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 6.6 x 10-7 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 6.6 x 10-7 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 6.6 x 10-7 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 6.6 x 10-7 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Hydoddedd Molar | 6.6 x 10-7 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 6.8 x 10-7 môl/L | pH 8; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 9.4 x 10-7 môl/L | pH 9; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 3.4 x 10-6 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 6.6 x 10-7 mol/L | Dŵr heb ei glustogi pH 6.99; Tymheredd: 25 °C | (1) ACD |
Pwysau Moleciwlaidd | 560.60 | ||
pKa | 9.39±0.10 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dwysedd
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Dwysedd | 1.35 ± 0.1 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr | (1) ACD |
Cyfrol Molar | 412.9±5.0 cm3/mol | Tymheredd: 20 °C; Gwasg: 760 Torr | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Bondiau Cylchdroadwy | 11 | (1) ACD | |
H Derbynwyr | 10 | (1) ACD | |
H Rhoddwyr | 2 | (1) ACD | |
H Swm Rhoddwr/Derbynnydd | 12 | (1) ACD | |
logP | 4.372±0.582 | Tymheredd: 25 °C | (1) ACD |
Pwysau Moleciwlaidd | 560.60 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Strwythur Cysylltiedig
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Arwynebedd Pegynol | 116 A2 | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Sbectra ar gael
1H NMR
13C NMR