![C21H21N3O6 Thymidin, α – [(1-naphthalenylmethyl)amino]- α -oxo- (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C21H21N3O6 Thymidin, α – [(1-naphthalenylmethyl)amino]- α -oxo- (ACI) Delwedd dan Sylw](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine.png)
C21H21N3O6 Thymidin, α – [(1-naphthalenylmethyl)amino]- α -oxo- (ACI)
Rhif Cofrestrfa CAS
1262015-90-6
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 411.41 | - |
| Dwysedd (Rhagweld) | 1.460 ± 0.06 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr |
| pKa (Rhagweld) | 8.23±0.10 | Tymheredd Mwyaf Asidig: 25 °C |
GWênau Canonaidd
O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(CO)C(O)C4
GWênau Isomerig
O=C1N(C=C(C(NCC=2C3=C(C=CC2)C=CC=C3)=O)C(=O)N1)[C@@H]4O[C@H](CO )[C@H](O)C4
InChI
InChI= 1S/C21H21N3O6/c25-11-17-16(26)8-18(30-17)24-10-15(20(28)23-21(24)29)19(27)22-9- 13-6-3-5-12-4-1-2-7-14(12)13/h1- 7,10,16-18,25-26H,8-9,11H2,(H,22,27 )(H,23,28,29)/t16-,17+,18+/m0/s1
Allwedd InChI
UUDHOSZAWIHGTB-RCCFBDPRSA-N
3 Enwau Eraill ar y Sylwedd hwn
α -[(1-Naphthalenylmethyl)amino]- α -ocsothymidin (ACI); (NapdU); 87: PN: WO2020081510 SEQID: 87 dilyniant honedig
Eiddo ar gael
Biolegol
Cemegol
Dwysedd
Lipinski
Strwythur Cysylltiedig
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Bio-ganolbwyntio | 3.23 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 3.23 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 3.23 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 3.23 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 3.23 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 3.19 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 2.85 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.40 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.0 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.0 | 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)
| Ffynhonnell Cyflwr Gwerth Eiddo |
| Koc 80.5 pH 1; Tymheredd: 25 °C (1) ACD |
| Koc 80.5 pH 2; Tymheredd: 25 °C (1) ACD |
| Koc 80.5 pH 3; Tymheredd: 25 °C (1) ACD |
| Koc 80.5 pH 4; Tymheredd: 25 °C (1) ACD |
| Koc 80.4 pH 5; Tymheredd: 25 °C (1) ACD |
| Koc 79.5 pH 6; Tymheredd: 25 °C (1) ACD |
| Koc 71.1 pH 7; Tymheredd: 25 °C (1) ACD |
| Koc 34.9 pH 8; Tymheredd: 25 °C (1) ACD |
| Koc 6.35 pH 9; Tymheredd: 25 °C (1) ACD |
| Koc 1.39 pH 10; Tymheredd: 25 °C (1) ACD |
| logD 0.97 pH 1; Tymheredd: 25 °C (1) ACD |
| logD 0.97 pH 2; Tymheredd: 25 °C (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| logD | 0.97 | pH 3; Tymheredd: 25 °C | (1) ACD |
| logD | 0.97 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | 0.97 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | 0.97 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | 0.92 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | 0.61 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | -0.13 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | -0.79 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logP | 0.973±0.586 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Torfol | 5.3 x 10-3 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.3 x 10-3 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.3 x 10-3 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.3 x 10-3 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.3 x 10-3 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.3 x 10-3 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.3 x 10-3 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.8 x 10-3 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.012 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.066 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.30 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.3 x 10-3 g/L | Dŵr heb ei glustogi pH 6.37; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid molar | 1.3 x 10-5 môl/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.3 x 10-5 môl/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.3 x 10-5 môl/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.3 x 10-5 môl/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.3 x 10-5 môl/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.3 x 10-5 môl/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.3 x 10-5 môl/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.4 x 10-5 môl/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.9 x 10-5 môl/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.6 x 10-4 môl/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.4 x 10-4 môl/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Molar | 1.3 x 10-5 môl/L | Dŵr heb ei glustogi pH 6.37; Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 411.41 | ||
| pKa | 8.23±0.10 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | -1.90±0.20 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Dwysedd | 1.460 ± 0.06 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr | (1) ACD |
| Cyfrol Molar | 281.6 ±3.0 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)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Bondiau Cylchdroadwy | 7 | (1) ACD | |
| H Derbynwyr | 9 | (1) ACD | |
| H Rhoddwyr | 4 | (1) ACD | |
| H Swm Rhoddwr/Derbynnydd | 13 | (1) ACD | |
| logP | 0.973±0.586 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 411.41 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Ffynhonnell Cyflwr |
| Arwynebedd Pegynol | 128 A2 | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Sbectra ar gael
1 H NMR
13 C NMR
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