Basic information
- CAS
562-43-6- Standard SMILES
CC[C@@](C)(O)[C@@H](O)C(=O)O- InChIKey
PDGXJDXVGMHUIR-UJURSFKZSA-N- Molecular formula
- C6H12O4
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.07355886
Overview
(2R,3R)-2,3-dihydroxy-3-methylpentanoic acid is a dihydroxy monocarboxylic acid. It is functionally related to a valeric acid. It is a conjugate acid of a (2R,3R)-2,3-dihydroxy-3-methylpentanoate.
Names & identifiers
- Preferred name
- (2R,3R)-2,3-dihydroxy-3-methylpentanoic acid
- IUPAC
- (2R,3R)-2,3-dihydroxy-3-methylpentanoic acid
- English name
- valeric acid, 2,3-dihydroxy-3-methyl-
- Molecular formula
- C6H12O4
- Molecular weight
- 148.16
Names & synonyms
(2R,3R)-2,3-dihydroxy-3-methylpentanoic acidCHEBI:27512RefChem:9347042,3-DIHYDROXY-VALERIANIC ACID(R)-2,3-Dihydroxy-3-methylvalerate(R) 2,3-Dihydroxy-3-methylvalerateDMV4,5-dideoxy-3-C-methyl-D-erythro-pentonic acidFA 6:0;O22,3-Dihydroxy-3-Methyl-Valeric acidalpha,beta-dihydroxy-beta-methylvaleric acidCID8
Show more names
Dexpanthenol Impurity 25α,β-dihydroxy-β-methylvalerate2,3-Dihydroxy-3-methylpentanoate2,3-Dihydroxy-3-methylpentanoic acidvaleric acid, 2,3-dihydroxy-3-methyl-Pentonic acid, 4,5-dideoxy-3-C-methyl-
1-KETO-2-METHYLVALERATESCHEMBL23071625LMFA01050452AKOS0063758454,5-dideoxy-3-C-methyl-pentonic acidDB03675PD059571(R)-2,3-Dihydroxy-3-methylpentanoic acid
Database identifiers
- CAS
562-43-6
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 134
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physical DescriptionSolid
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H335-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Additional notes
DefinitionChEBI: 2,3-Dihydroxy-3-methylpentanoate is a hydroxy fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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