2,4(1H,3H)-Pyrimidinedione,1-(3-azido-2,3,5-trideoxy-b-D-erythro-hexofuranosyl)-5-methyl- | 130481-61-7
2,4(1H,3H)-Pyrimidinedione,1-(3-azido-2,3,5-trideoxy-b-D-erythro-hexofuranosyl)-5-methyl-
130481-61-7
C11H15N5O4
281.2679
名称和标识符
InChIKey |
ZUYSJOBAOKXRAG-DJLDLDEBSA-N |
Inchi |
InChI=1S/C11H15N5O4/c1-6-5-16(11(19)13-10(6)18)9-4-7(14-15-12)8(20-9)2-3-17/h5,7-9,17H,2-4H2,1H3,(H,13,18,19)/t7-,8+,9+/m0/s1 |
SMILES |
OCC[C@H]1O[C@@H](N2C=C(C)C(=O)NC2=O)C[C@@H]1N=[N+]=[N-] |
别名信息
- 英文别名 -
- 2,4(1H,3H)-Pyrimidinedione,1-(3-azido-2,3,5-trideoxy-b-D-erythro-hexofuranosyl)-5-methyl-
- 1-[(2R,4S,5R)-4-azido-5-(2-hydroxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- 2,4(1H,3H)-Pyrimidinedione, 1-(3-azido-2,3,5-trideoxy-.beta.-D-erythro-hexofuranosyl)-5-methyl-
- 2,4(1H,3H)-Pyrimidinedione, 1-(3-azido-2,3,5-trideoxy-beta-D-erythro-hexofuranosyl)-5-methyl-
- Homo-AZT
- DTXSID60156572
- 130481-61-7
- 1-[(2R,4S,5R)-4-azido-5-(2-hydroxyethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
- 1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine
- 1-(3'-Azido-2',3',5'-trideoxy-.beta.-D-allofuranosyl)thymine
物化性质
实验特性
计算特性
精确分子量 |
281.112 |
氢键供体数量 |
2 |
氢键受体数量 |
6 |
可旋转化学键数量 |
4 |
同位素质量 |
281.112 |
重原子数量 |
20 |
复杂度 |
499 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
3 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
0.4 |
拓扑分子极性表面积 |
93.2Ų |
2,4(1H,3H)-Pyrimidinedione,1-(3-azido-2,3,5-trideoxy-b-D-erythro-hexofuranosyl)-5-methyl-推荐生产厂家