(2S,3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol
Basic information
- CAS
778561-25-4- Standard SMILES
C[C@@H](O)[C@@H]1NC[C@@H](O)[C@H]1O- InChIKey
HVRWFMCLXNLOCH-ARQDHWQXSA-N- Molecular formula
- C6H13NO3
- Average molar mass
- 147.17 g/mol
Names & identifiers
- Preferred name
- (2S,3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol
- IUPAC
- (2S,3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol
- English name
- 3,4-Pyrrolidinediol,2-[(1R)-1-hydroxyethyl]-,(2S,3S,4R)-(9CI)
- Molecular formula
- C6H13NO3
- Molecular weight
- 147.17
Names & synonyms
3,4-Pyrrolidinediol, 2-[(1R)-1-hydroxyethyl]-, (2S,3S,4R)-3,4-Pyrrolidinediol,2-[(1R)-1-hydroxyethyl]-,(2S,3S,4R)-(9CI)
Database identifiers
- CAS
778561-25-4- Nikkaji
- J1.141.187H
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 313 · 313.0±37.0 °C(Predicted)
- Density
- 1.315 · 1.315±0.06 g/cm3(Predicted)
- pka
- 14.29 · 14.29±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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