4,5-Dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one
Basic information
- CAS
68907-79-9- Standard SMILES
O=C1C=CC(O)C1(O)CO- InChIKey
NCKMZWFKQTWDTD-UHFFFAOYSA-N- Molecular formula
- C6H8O4
- Average molar mass
- 144.12 g/mol
- Monoisotopic mass
- 144.04225873
Names & identifiers
- Preferred name
- 4,5-Dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one
- IUPAC
- 4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one
Names & synonyms
4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one68907-79-9NSC-3064054,5-Dihydroxy-4-(hydroxymethyl)cyclopentene-3-onePENTENOMYCIN I,(+)-SCHEMBL16431206DTXSID609886132-Cyclopenten-1-one,4,5-dihydroxy-5-(hydroxymethyl)-, (4r,5r)-rel-NSC306405DB-294933DS-01318657236-37-0
Database identifiers
- CAS
68907-79-9- PubChem CID
- 328263
- DTXSID
DTXSID60988613- Nikkaji
- J11.737D
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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