Basic information
- CAS
20312-37-2- Standard SMILES
CC(C)C[C@@H](O)C(=O)O- InChIKey
LVRFTAZAXQPQHI-RXMQYKEDSA-N- Molecular formula
- C6H12O3
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.07864424
Names & identifiers
- Preferred name
- (R)-2-hydroxy-4-methylpentanoic acid
- IUPAC
- (2R)-2-hydroxy-4-methylpentanoic acid
- English name
- (R)-2-Hydroxy-4-methylpentanoic acid
- Molecular formula
- C6H12O3
- Molecular weight
- 132.16
Names & synonyms
(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:407224DTXCID10282552
Show more names
D-a-Hydroxyisocaproic acid2-hydroxy-4-Methyl-(-)-??-hydroxyisocaproateD-α-Hydroxyisocaproic acidD-ALPHA-HYDROXYISOCAPROIC ACIDR-2-Hydroxy-4-methylvaleric acid
805-397-120312-37-2D-leucic acid(2R)-2-hydroxy-4-methylpentanoic acidPentanoic acid, 2-hydroxy-4-methyl-, (2R)-(R)-2-hydroxyisocaproic acidMFCD00211263(R)-2-Hydroxyisocaproate
Database identifiers
- CAS
20312-37-2- PubChem CID
- 439960
- DTXSID
DTXSID10331458- ChEBI
CHEBI:55534- UNII
- 82AX56U3YN
- EC Number
- 805-397-1
- Nikkaji
- J84.593K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 98
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 76 · 76-80℃
- Boiling point
- 251.3 · 251.3±13.0 °C(Predicted)
- Density
- 1.097 · 1.097±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Soluble in DMSO
- pka
- 3.86 · 3.86±0.21(Predicted)
- form
- Solid
- color
- White to off-white
- InChI
- 1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s1
- InChIKey
- LVRFTAZAXQPQHI-RXMQYKEDSA-N
- SMILES
- CC(C)C[C@@H](O)C(O)=O
- LogP
- 0.522 · 0.522 (est)
- FDA UNII
- 82 AX56U3YN · 82AX56U3YN
Safety & regulation
GHS classification
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.
Safety data
- wgk
- WGK 3
- hs_code
- 2918199890
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular；Membrane
Applications
Uses(R)-Leucic acid is an amino acid metabolite[1].
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers64 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
杭州摩库生物医药科技有限公司
Related reactions
26 records
Compound notes
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