Basic information
- CAS
117821-06-4- Standard SMILES
O=C1N[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O- InChIKey
ZWFBJVLZKRFADK-QTBDOELSSA-N- Molecular formula
- C6H11NO5
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.06372245
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 5-(1,2-dihydroxyethyl)-3,4-dihydroxy-, (3S-(3alpha,4alpha,5alpha(R*)))-
- IUPAC
- (3S,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxypyrrolidin-2-one
Names & synonyms
D-Mannonic-1,4-lactam117821-06-42-Pyrrolidinone, 5-(1,2-dihydroxyethyl)-3,4-dihydroxy-, (3S-(3alpha,4alpha,5alpha(R*)))-DTXSID70151917(3S,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxypyrrolidin-2-one(3S,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-pyrrolidin-2-one2-Pyrrolidinone, 5-(1,2-dihydroxyethyl)-3,4-dihydroxy-, [3S-[3a,4a,5a(R*)]]-
Database identifiers
- CAS
117821-06-4- PubChem CID
- 451997
- DTXSID
DTXSID70151917
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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