uspto-grants-1997_01 · 10.6084/m9.figshare.5104873.v1 · US05594006
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IDENTITY
结构与身份
- 标准SMILES
- CC(C)C[C@@H](O)C(=O)O
- InChIKey
- LVRFTAZAXQPQHI-RXMQYKEDSA-N
- 分子式
- C6H12O3
- 平均分子量
- 132.16 g/mol
- 单同位素质量
- 132.07864424
COMPUTED
结构计算性质
- XLogP
- 0.9
- 极性表面积
- 57.5 Ų
- 氢键供体
- 2
- 氢键受体
- 3
- 可旋转键
- 3
- 重原子
- 9
- 形式电荷
- 0
- 复杂度
- 98
PROPERTIES
实验与物化性质
Physical Description
Solid
GHS
GHS分类
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
PHARMACOLOGY
药理信息
Cellular Locations
Extracellular；Membrane
ALIASES
名称与别名
(R)-2-Hydroxy-4-methylpentanoic acid(R)-leucic aciddelta-leucic acidD-2-hydroxy-4-methylvaleric acidD-2-hydroxyisocaproic acidD-2-hydroxy-4-methylpentanoic acid2-hydroxy-4-methyl-D-valeric acidCHEBI:55534DTXSID10331458(R)-2-hydroxy-4-methylvaleric acidRefChem:407224DTXCID10282552805-397-120312-37-2D-leucic acid(2R)-2-hydroxy-4-methylpentanoic acidPentanoic acid, 2-hydroxy-4-methyl-, (2R)-(R)-2-hydroxyisocaproic acidMFCD00211263(R)-2-Hydroxyisocaproate
REACTIONS
参与反应
uspto-grants-1997_01 · 10.6084/m9.figshare.5104873.v1 · US05594006
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