2,4(1H,3H)-Pyrimidinedione,1-(3-azido-2,3-dideoxy-b-D-threo-pentofuranosyl)- | 101039-96-7
2,4(1H,3H)-Pyrimidinedione,1-(3-azido-2,3-dideoxy-b-D-threo-pentofuranosyl)-
101039-96-7
C9H11N5O4
253.21474
名称和标识符
InChIKey |
ZSNNBSPEFVIUDS-ATRFCDNQSA-N |
Inchi |
InChI=1S/C9H11N5O4/c10-13-12-5-3-8(18-6(5)4-15)14-2-1-7(16)11-9(14)17/h1-2,5-6,8,15H,3-4H2,(H,11,16,17)/t5-,6-,8-/m1/s1 |
SMILES |
[N-]=[N+]=N[C@@H]1C[C@H](N2C=CC(=O)NC2=O)O[C@@H]1CO |
别名信息
- 英文别名 -
- 2,4(1H,3H)-Pyrimidinedione,1-(3-azido-2,3-dideoxy-b-D-threo-pentofuranosyl)-
- 1-[(2R,4R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- 1-(3-Azido-2,3-dideoxy-.beta.-D-threo-pentofuranosyl)uracil
- 1-(3-Azido-2,3-dideoxy-beta-D-threo-pentofuranosyl)uracil
- 2,4(1H,3H)-Pyrimidinedione, 1-(3-azido-2,3-dideoxy-.beta.-D-threo-pentofuranosyl)-
- 2,4(1H,3H)-Pyrimidinedione, 1-(3-azido-2,3-dideoxy-beta-D-threo-pentofuranosyl)-
- 1-(3-AZIDO-2,3-DIDEOXY-.BETA.-D-THREO-PENTOFURANOSYL)-2,4(1H,3H)-PYRIMIDINEDIONE
- 101039-96-7
- CHEMBL48012
- NCGC00247013-01
- W-203917
- 1-[(2R,4R,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
- 1-((2R,4R,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
- 3'-AZIDO-2',3'-DIDEOXYURIDINE
- 3 inverted exclamation marka-Azido-2 inverted exclamation marka,3 inverted exclamation marka-dideoxyuridine
- F86371
- 3'-AZIDO-2',3'-DIDEOXY-1-.BETA.-D-THREO-PENTOFURANOSYLURACIL
- NSC 380882
- 965U3315F5
- AZU(up)
- HMS2234N04
- SMR000058875
- SCHEMBL15233083
- DTXSID30143696
- UNII-965U3315F5
- 3'-Epinavuridine
- Opera_ID_108
- AZddU (threo)
- CS-0026724
- 84472-85-5
- MLS000069767
- HY-106850
物化性质
实验特性
LogP |
-1.05194 |
PSA |
127.63 |
熔点 |
161-163ºC |
计算特性
精确分子量 |
253.08123 |
氢键供体数量 |
2 |
氢键受体数量 |
6 |
可旋转化学键数量 |
3 |
同位素质量 |
253.081 |
重原子数量 |
18 |
复杂度 |
444 |
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) |
_0.3 |
拓扑分子极性表面积 |
93.2A^2 |