(4R,5S)-4,5-dihydroxy-4-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one
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Basic information
- CAS
677751-79-0- Standard SMILES
C[C@@H](O)[C@]1(O)C=CC(=O)[C@H]1O- InChIKey
NEVXRVUNMDEPDG-QPPQHZFASA-N- Molecular formula
- C7H10O4
- Average molar mass
- 158.15 g/mol
- Monoisotopic mass
- 158.0579088
Names & identifiers
- Preferred name
- (4R,5S)-4,5-dihydroxy-4-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one
- IUPAC
- (4R,5S)-4,5-dihydroxy-4-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one
- English name
- 2-Cyclopenten-1-one, 4,5-dihydroxy-4-[(1R)-1-hydroxyethyl]-, (4R,5S)- (9CI)
- Molecular formula
- C7H10O4
- Molecular weight
- 158.15
Names & synonyms
2-Cyclopenten-1-one, 4,5-dihydroxy-4-[(1R)-1-hydroxyethyl]-, (4R,5S)-2-Cyclopenten-1-one, 4,5-dihydroxy-4-[(1R)-1-hydroxyethyl]-, (4R,5S)- (9CI)
Database identifiers
- CAS
677751-79-0- PubChem CID
- 11321100
- Nikkaji
- J2.001.736H
Properties
Computed structural propertiesFilling in
- XLogP
- -1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
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Compound notes
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