![C39H46FN4O8P Wridin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H46FN4O8P Wridin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI) Delwedd Nodwedd](https://www.csnvchem.com/uploads/C39H46FN4O8P-Uridine.png)
C39H46FN4O8P Wridin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)
Rhif Cofrestru CAS
146954-75-8
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 748.78 | - |
| pKa (Rhagfynegedig) | 9.39±0.10 | Tymheredd Mwyaf Asidig: 25 °C |
GWENAU Canonaidd
N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(=O)NC5=O)N(C(C)C)C(C)C
GWÊNAU Isomerig
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](F)[C@@H](O1)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/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43-23-22-34(45(3)43-21-34(45)42-38) -8-7-9-12-28,29-13-17-31(47-5)18-14-29)30-15-19-32(48-6)20-16-3 0/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1-6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1
Allwedd InChI
HQHQPAYRJJMYQX-DJTPZYMWSA-N
1 Enw Arall ar gyfer y Sylwedd hwn
Wridin, 5′ -O- [bis(4-methoxyffenyl)ffenylmethyl]-2′-deocsi-2′-fflworo-, 3′-[2-cyanoethyl bis(1-methylethyl)ffosfforamidit] (9CI)
Eiddo sydd ar gael
Biolegol
Cemegol
Lipinski
Cysylltiedig â Strwythur
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Biogrynodiad | 457 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 3690 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 27700 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 82900 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.04 x 105 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.06 x 105 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.06 x 105 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.02 x 105 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 76200 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 22000 | pH 10; Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Cyflwr Gwerth Eiddo Ffynhonnell |
| Koc 592 pH 1; Tymheredd: 25 °C (1) ACD |
| Koc 4790 pH 2; Tymheredd: 25 °C (1) ACD |
| Koc 36000 pH 3; Tymheredd: 25 °C (1) ACD |
| Koc 1.07 x 105 pH 4; Tymheredd: 25 °C (1) ACD |
| Koc 1.34 x 105 pH 5; Tymheredd: 25 °C (1) ACD |
| Koc 1.38 x 105 pH 6; Tymheredd: 25 °C (1) ACD |
| Koc 1.37 x 105 pH 7; Tymheredd: 25 °C (1) ACD |
| Koc 1.33 x 105 pH 8; Tymheredd: 25 °C (1) ACD |
| Koc 98800 pH 9; Tymheredd: 25 °C (1) ACD |
| Koc 28600 pH 10; Tymheredd: 25 °C (1) ACD |
| logD 4.55 pH 1; Tymheredd: 25 °C (1) ACD |
| logD 5.46 pH 2; Tymheredd: 25 °C (1) ACD |
| logD 6.33 pH 3; Tymheredd: 25 °C (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| logD | 6.81 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | 6.91 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | 6.92 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | 6.92 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | 6.90 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | 6.77 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | 6.23 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logP | 6.918±0.641 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Màs | 2.2 x 10-5 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 5.1 x 10-3 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 6.3 x 10-4 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 8.2 x 10-5 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 2.8 x 10-5 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 2.2 x 10-5 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 2.2 x 10-5 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 2.2 x 10-5 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 2.2 x 10-5 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 3.0 x 10-5 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 1.0 x 10-4 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 2.2 x 10-5 g/L | Dŵr Heb ei Gluffio pH 7.00; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Molar | 2.9 x 10-8 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 6.8 x 10-6 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 8.4 x 10-7 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.1 x 10-7 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.7 x 10-8 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.0 x 10-8 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.9 x 10-8 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.9 x 10-8 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.0 x 10-8 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 4.0 x 10-8 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.4 x 10-7 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.9 x 10-8 mol/L | Dŵr Heb ei Gluffio pH 7.00; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Pwysau Moleciwlaidd | 748.78 | ||
| pKa | 9.39±0.10 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Bondiau Cylchdroi'n Rhydd | 17 | (1) ACD | |
| Derbynyddion H | 12 | (1) ACD | |
| Rhoddwyr H | 1 | (1) ACD | |
| Swm Rhoddwr/Derbynydd H | 13 | (1) ACD | |
| logP | 6.918±0.641 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 748.78 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Ffynhonnell y Cyflwr |
| Arwynebedd Wyneb Pegynol | 145 A2 | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
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