![C30H29FN2O7 Wridin, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H29FN2O7 Wridin, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI) Delwedd dan Sylw](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine.jpg)
C30H29FN2O7 Wridin, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 548.56 | - |
| Pwynt Toddi (Arbrofol) | 118-120 °C | - |
| Dwysedd (Rhagweld) | 1.38 ± 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)C2F
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](F)[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/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7 -19,21-10-14-23(38-2)15-11-21)39-18-24-27(35)26(31)28(40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26- ,27-,28-/m1/s1
Allwedd InChI
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Enw Arall ar y Sylwedd hwn
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluorouridine (ACI)
Eiddo ar gael
Thermol
Thermol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ymdoddbwynt | 118-120 °C | (1) CAS | |
(1) Penjarla, Srishylam; Niwcleosidau, Niwcleotidau ac Asidau Niwcleig, (2018), 37(4), 232-247, CAplus
Sbectra ar gael
1H NMR
13C NMR
| Eiddo ar gael |
| Biolegol |
| Cemegol |
| Dwysedd |
| Lipinski |
| Strwythur Cysylltiedig |
Biolegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Bio-ganolbwyntio | 3580 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 3580 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 3580 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 3580 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 3580 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 3580 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 3570 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 3430 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 2500 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 689 | 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 | 12200 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Koc | 12200 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Koc | 12200 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Koc | 12200 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Koc | 12200 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Koc | 12200 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Koc | 12100 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Koc | 11700. llathredd eg | pH 8; Tymheredd: 25 °C | (1) ACD |
| Koc | 8480. llarieidd-dra eg | pH 9; Tymheredd: 25 °C | (1) ACD |
| Koc | 2340 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logD | 4.98 | pH 1; Tymheredd: 25 °C | (1) ACD |
| logD | 4.98 | pH 2; Tymheredd: 25 °C | (1) ACD |
| logD | 4.98 | pH 3; Tymheredd: 25 °C | (1) ACD |
| logD | 4.98 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | 4.98 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | 4.98 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | 4.98 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | 4.96 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | 4.82 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | 4.26 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logP | 4.979±0.563 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Torfol | 9.9 x 10-5 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 9.9 x 10-5 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 9.9 x 10-5 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 9.9 x 10-5 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 9.9 x 10-5 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 9.9 x 10-5 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 9.9 x 10-5 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 9.9 x 10-5 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 9.9 x 10-5 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.4 x 10-4 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.0 x 10-4 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Torfol | 9.9 x 10-5 g/L | Dŵr heb ei glustogi pH 7.00; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid molar | 1.8 x 10-7 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.8 x 10-7 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.8 x 10-7 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.8 x 10-7 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.8 x 10-7 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.8 x 10-7 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.8 x 10-7 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.8 x 10-7 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.8 x 10-7 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.5 x 10-7 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 9.2 x 10-7 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.8 x 10-7 mol/L | Dŵr heb ei glustogi pH 7.00; Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 548.56 | ||
| 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 | 1.38 ± 0.1 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr | (1) ACD |
| Cyfrol Molar | 395.8±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 | 10 | (1) ACD | |
| H Derbynwyr | 9 | (1) ACD | |
| H Rhoddwyr | 2 | (1) ACD | |
| H Swm Rhoddwr/Derbynnydd | 11 | (1) ACD | |
| logP | 4.979±0.563 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 548.56 |
(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 | 107 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
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