![C17H19N3O6 Thymidin, α-ocso-α-[(ffenylmethyl)amino]- (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![Delwedd Nodwedd C17H19N3O6 Thymidin, α-ocso-α-[(ffenylmethyl)amino]- (ACI)](https://www.csnvchem.com/uploads/C17H19N3O6-Thymidine.png)
C17H19N3O6 Thymidin, α-ocso-α-[(ffenylmethyl)amino]- (ACI)
Rhif Cofrestru CAS
944268-75-1
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 361.35 | - |
| Dwysedd (Rhagfynegedig) | 1.459±0.06 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr |
| pKa (Rhagfynegedig) | 8.27±0.10 | Tymheredd Mwyaf Asidig: 25 °C |
GWENAU Canonaidd
O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(CO)C(O)C3
GWÊNAU Isomerig
O=C1N([C@@H]2O[C@H](CO)[C@@H](O)C2)C=C(C(NCC3=CC=CC=C3)=O)C(=O)N1
InChI
InChI= 1S/C17H19N3O6/c21-9-13-12(22)6-14(26-13)20-8-11(16(24)19-17(20)25)15(23)18-7-10-4-2-1-3-5-10/h1-5,8,12-14,21-22H,6-7,9 H2,(H,18,23)(H,19,24,25)/t12-,13+,14+/m0/s1
Allwedd InChI
VBRYAGCUEXFMKM-BFHYXJOUSA-N
3 Enw Arall ar gyfer y Sylwedd hwn
α-Oxo-α-[(ffenylmethyl)amino]thymidin (ACI); (BndU); 7: PN: WO2020081510 SEQID: 7 dilyniant hawliedig
Eiddo sydd ar gael
Biolegol
Cemegol
Dwysedd
Lipinski
Cysylltiedig â Strwythur
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Biogrynodiad | 1.0 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | 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 18.3 pH 1; Tymheredd: 25 °C (1) ACD |
| Koc 18.3 pH 2; Tymheredd: 25 °C (1) ACD |
| Koc 18.3 pH 3; Tymheredd: 25 °C (1) ACD |
| Koc 18.3 pH 4; Tymheredd: 25 °C (1) ACD |
| Koc 18.3 pH 5; Tymheredd: 25 °C (1) ACD |
| Koc 18.1 pH 6; Tymheredd: 25 °C (1) ACD |
| Koc 16.4 pH 7; Tymheredd: 25 °C (1) ACD |
| Koc 8.56 pH 8; Tymheredd: 25 °C (1) ACD |
| Koc 1.62 pH 9; Tymheredd: 25 °C (1) ACD |
| Koc 1.0 pH 10; Tymheredd: 25 °C (1) ACD |
| logD -0.21 pH 1; Tymheredd: 25 °C (1) ACD |
| logD -0.21 pH 2; Tymheredd: 25 °C (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| logD | -0.21 | pH 3; Tymheredd: 25 °C | (1) ACD |
| logD | -0.21 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | -0.21 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | -0.22 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | -0.26 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | -0.54 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | -1.26 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | -1.95 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logP | -0.212±0.585 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Màs | 0.13 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.13 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.13 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.13 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.13 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.13 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.14 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.15 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.29 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 1.5 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 7.2 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.14 g/L | Dŵr Heb ei Gluffio pH 5.68; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Molar | 3.7 x 10-4 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.7 x 10-4 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.7 x 10-4 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.7 x 10-4 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.7 x 10-4 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.7 x 10-4 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.8 x 10-4 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 4.2 x 10-4 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 8.0 x 10-4 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 4.2 x 10-3 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.020 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Molar | 3.8 x 10-4 mol/L | Dŵr Heb ei Gluffio pH 5.68; Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 361.35 | ||
| pKa | 8.27±0.10 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | -1.66±0.20 | 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 |
| Dwysedd | 1.459±0.06 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
| Cyfaint Molar | 247.5±3.0 cm3/mol | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (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 | 7 | (1) ACD | |
| Derbynyddion H | 9 | (1) ACD | |
| Rhoddwyr H | 4 | (1) ACD | |
| Swm Rhoddwr/Derbynydd H | 13 | (1) ACD | |
| logP | -0.212±0.585 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 361.35 |
(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 | 128 A2 | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra sydd ar gael
1H NMR
13C NMR
![C21H21N3O6 Thymidin, α – [(1-naffthalenylmethyl)amino]-α -ocso- (ACI)](https://www.csnvchem.com/uploads/C21H21N3O6-Thymidine-300x300.png)
