(2R,3S,4R)-2-(4-(Hydroxymethyl)-5-methylfuran-2-yl)pyrrolidine-3,4-diol
Basic information
- CAS
385766-45-0- Standard SMILES
Cc1oc([C@@H]2NC[C@@H](O)[C@H]2O)cc1CO- InChIKey
XVJUIKJDTLWLBB-FKTZTGRPSA-N- Molecular formula
- C10H15NO4
- Average molar mass
- 213.23 g/mol
Names & identifiers
- Preferred name
- (2R,3S,4R)-2-(4-(Hydroxymethyl)-5-methylfuran-2-yl)pyrrolidine-3,4-diol
- IUPAC
- (2R,3S,4R)-2-[4-(hydroxymethyl)-5-methylfuran-2-yl]pyrrolidine-3,4-diol
- English name
- 3,4-Pyrrolidinediol, 2-[4-(hydroxymethyl)-5-methyl-2-furanyl]-, (2R,3S,4R)- (9CI)
- Molecular formula
- C10H15NO4
- Molecular weight
- 213.23
Names & synonyms
385766-45-0(2R,3S,4R)-2-(4-(Hydroxymethyl)-5-methylfuran-2-yl)pyrrolidine-3,4-diol(2R,3S,4R)-2-[4-(hydroxymethyl)-5-methylfuran-2-yl]pyrrolidine-3,4-diol3,4-Pyrrolidinediol, 2-[4-(hydroxymethyl)-5-methyl-2-furanyl]-, (2R,3S,4R)-3,4-Pyrrolidinediol, 2-[4-(hydroxymethyl)-5-methyl-2-furanyl]-, (2R,3S,4R)- (9CI)
Database identifiers
- CAS
385766-45-0- Nikkaji
- J1.582.455G
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 311.6 · 311.6±42.0 °C(Predicted)
- Density
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- pka
- 14.01 · 14.01±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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