(2S)-2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoic acid

HCID 32776

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Basic information

CAS: 25039-18-3
Standard SMILES: COC(C)[C@](O)(C(=O)O)C(C)C
InChIKey: ZRQIPAUWGAYLLW-XDKWHASVSA-N
Molecular formula: C8H16O4
Average molar mass: 176.21 g/mol
Monoisotopic mass: 176.10485899

Names & identifiers

Preferred name: (2S)-2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoic acid
IUPAC: (2S)-2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoic acid

Names & synonyms

Heliotric acid25039-18-3Heliotrinic acid(2S)-2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoic acidDTXSID00947901Butyric acid, 2-hydroxy-2-isopropyl-3-methoxy-, (2S,3R)-(-)-BUTANOIC ACID, 2-HYDROXY-2-(1-METHOXYETHYL)-3-METHYL-, (R-(R*,S*))-2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoic acid

Database identifiers

CAS: 25039-18-3
PubChem CID: 32776
DTXSID: DTXSID00947901

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 166

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