(9ci)-n-[[(2r,3r,4r,5r,6s)-3,4,5-三羟基-6-甲基-2-哌啶基]甲基]-乙酰胺 | 637772-10-2
(9ci)-n-[[(2r,3r,4r,5r,6s)-3,4,5-三羟基-6-甲基-2-哌啶基]甲基]-乙酰胺
Acetamide,N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-piperidinyl]methyl]-
637772-10-2
C9H18N2O4
218.25022
名称和标识符
InChIKey |
PCXCXTZASITUBF-GDJKBKKHSA-N |
Inchi |
InChI=1S/C9H18N2O4/c1-4-7(13)9(15)8(14)6(11-4)3-10-5(2)12/h4,6-9,11,13-15H,3H2,1-2H3,(H,10,12)/t4-,6+,7+,8+,9+/m0/s1 |
SMILES |
CC1C(C(C(C(N1)CNC(=O)C)O)O)O |
别名信息
- 中文别名 -
- (9ci)-n-[[(2r,3r,4r,5r,6s)-3,4,5-三羟基-6-甲基-2-哌啶基]甲基]-乙酰胺
- 英文别名 -
- Acetamide,N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-piperidinyl]methyl]-
- Acetamide, N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-piperidinyl]methyl]- (9CI)
- ZXA
- CHEMBL1236993
- N-(((2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-methylpiperidin-2-yl)methyl)acetamide
- Q27468082
- 637772-10-2
- Acetamide,N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-piperidinyl]methyl]-(9ci)
- N-{[(2r,3r,4r,5r,6s)-3,4,5-Trihydroxy-6-Methylpiperidin-2-Yl]methyl}acetamide
物化性质
实验特性
计算特性
精确分子量 |
218.12674 |
氢键供体数量 |
5 |
氢键受体数量 |
5 |
可旋转化学键数量 |
2 |
同位素质量 |
218.12665706g/mol |
重原子数量 |
15 |
复杂度 |
236 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
5 |
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) |
-1.9 |
拓扑分子极性表面积 |
102Ų |