(2R3R)-2-羟基-3-甲基戊酸 | 59653-35-9
(2R3R)-2-羟基-3-甲基戊酸
(2S,3S)-2-hydroxy-3-methylpentanoic acid
59653-35-9
C6H12O3
132.157682418823
名称和标识符
InChIKey |
RILPIWOPNGRASR-RFZPGFLSSA-N |
Inchi |
InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m1/s1 |
SMILES |
CCC(C)C(C(=O)O)O |
别名信息
- 英文别名 -
- Pentanoic acid,2-hydroxy-3-methyl-, (2R,3R)-rel-
- Isoleucic acid
- Pentanoicacid, 2-hydroxy-3-methyl-, (R*,R*)-
- (2S,3S)-2-hydroxy-3-methylpentanoic acid
- A-hydroxy-b-methylvaleric acid
- CS-0108582
- 2R-hydroxy-3R-methyl-pentanoic acid
- Q27161414
- D-Isoleucic acid
- Pentanoic acid, 2-hydroxy-3-methyl-, (2R,3R)-rel-
- A-hydroxy-b-methylvalerate
- 2-Hydroxy-3-methyl-pentanoate
- EN300-214785
- Pentanoic acid, 2-hydroxy-3-methyl-, (R*,R*)-
- 2-Hydroxy-3-methylpentanoic acid, (2R,3R)-
- (2R,3R)-2-hydroxy-3-methylpentanoic acid
- HY-W074264
- D76826
- 2-hydroxy-3-methyl-pentanoic acid
- 2-Hydroxy-3-methylvaleric acid, (2R,3R)-
- (2R,3R)-2-hydroxy-3-methyl-pentanoate
- 2-hydroxy-3-methyl-Valerate
- 86540-81-0
- Isoleucic acid, (-)-
- 31PQT8YA0S
- alpha-hydroxy-beta-methylvaleric acid
- 2-Hydroxy-3-methylvalerate
- DTXSID601347302
- LMFA01050380
- isoleucic acid
- UNII-31PQT8YA0S
- (2R,3R)-2-hydroxy-3-methyl-pentanoic acid
- Pentanoic acid, 2-hydroxy-3-methyl-, (2R,3R)-
- SCHEMBL1623516
- UNII-ZHK526L1KJ
- CHEBI:89228
- ZHK526L1KJ
- 2-hydroxy-3-methyl-Valeric acid
- Isoleucic acid, (+/-)-
- 59653-35-9
- Rel-(2R,3R)-2-hydroxy-3-methylpentanoic acid
物化性质
计算特性
精确分子量 |
132.078644241g/mol |
氢键供体数量 |
2 |
氢键受体数量 |
3 |
可旋转化学键数量 |
3 |
同位素质量 |
132.078644241g/mol |
重原子数量 |
9 |
复杂度 |
101 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
2 |
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) |
0.9 |
拓扑分子极性表面积 |
57.5Ų |