1-脱氧-1-(甲基氨基)-d-半乳糖醇 | 7115-46-0
1-脱氧-1-(甲基氨基)-d-半乳糖醇
D-(-)-N-Methylgalactamine
7115-46-0
C7H17NO5
195.2136
名称和标识符
InChIKey |
MBBZMMPHUWSWHV-WNJXEPBRSA-N |
Inchi |
InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6+,7-/m0/s1 |
SMILES |
CNC[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O |
别名信息
- 中文别名 -
- 1-(甲基氨基)-D-半乳糖醇
- 1-脱氧-1-(甲基氨基)-d-半乳糖醇
- 英文别名 -
- 1-deoxy-1-(methylamino)-d-galactitol
- N-methyl-2,3,4,5,6-pentahydroxyhexylamine
- (2R,3S,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
- (2R,3S,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
- MBBZMMPHUWSWHV-WNJXEPBRSA-N
- MBBZMMPHUWSWHV-WNJXEPBRSA-N
- N-methyl-(2(S),3(R),4(S),5(R),6-pentahydroxy-hexyl)-amine
- N-methyl-(2(S),3(R),4(S),5(R),6-pentahydroxy-hexyl)-amine
- (2R,3S,4R,5S)-6-(Methylamino)hexane-1,2,3,4,5-pentaol
- (2R,3S,4R,5S)-6-(Methylamino)hexane-1,2,3,4,5-pentaol
- N-methyl-(2 (S),3 (R),4 (S),5 (R),6-pentahydroxy-hexyl)-amine
- N-methyl-(2 (S),3 (R),4 (S),5 (R),6-pentahydroxy-hexyl)-amine
- DTXSID80503903
- DTXSID80503903
- 1-Deoxy-1-(methylamino)-D-galactitol
- 1-Deoxy-1-(methylamino)-D-galactitol
- 7115-46-0
- 7115-46-0
- SCHEMBL724392
- 1-Deoxy-1-methylamino-D-galactitol
- SCHEMBL724392
- AKOS006272159
- 1-Deoxy-1-methylamino-D-galactitol
- AKOS006272159
物化性质
实验特性
折射率 |
1.555 |
熔点 |
133-136 °C(lit.) |
计算特性
精确分子量 |
195.11067264g/mol |
氢键供体数量 |
6 |
氢键受体数量 |
6 |
可旋转化学键数量 |
6 |
同位素质量 |
195.11067264g/mol |
重原子数量 |
13 |
复杂度 |
134 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
4 |
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) |
无 |
互变异构体数量 |
无 |
表面电荷 |
0 |
拓扑分子极性表面积 |
113Ų |