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Basic information
- CAS
152204-30-3- Standard SMILES
C[C@H](C(=O)O)[C@@H](O)C(=O)O- InChIKey
NPYQJIHHTGFBLN-STHAYSLISA-N- Molecular formula
- C5H8O5
- Average molar mass
- 148.11 g/mol
- Monoisotopic mass
- 148.03717335
Names & identifiers
- Preferred name
- D-Erythro-3-Methylmalate
- IUPAC
- (2R,3S)-2-hydroxy-3-methylbutanedioic acid
Names & synonyms
D-erythro-3-MethylmalateRefChem:1082872D-erythro-3-methylmalic acid(2R,3S)-2-hydroxy-3-methylbutanedioic acid152204-30-3(2R,3S)-3-methylmalic acid(2R,3S)-2-hydroxy-3-methylsuccinic acidCHEMBL226414SCHEMBL2251200CHEBI:27394NPYQJIHHTGFBLN-STHAYSLISA-NDTXSID001344281
Show more names
AKOS006380144C06032Q27103106
Database identifiers
- CAS
152204-30-3- PubChem CID
- 440892
- DTXSID
DTXSID001344281- ChEMBL
CHEMBL226414- ChEBI
CHEBI:27394- Nikkaji
- J883.007J
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 152
Related reactions
4 records
Compound notes
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