(3S,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol
Basic information
- CAS
275363-98-9- Standard SMILES
OC[C@H]1CNC[C@H](O)[C@@H]1O- InChIKey
QPYJXFZUIJOGNX-NGJCXOISSA-N- Molecular formula
- C6H13NO3
- Average molar mass
- 147.17 g/mol
Names & identifiers
- Preferred name
- (3S,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol
- IUPAC
- (3S,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
- English name
- 3,4-Piperidinediol, 5-(hydroxymethyl)-, (3R,4S,5S)-rel- (9CI)
- Molecular formula
- C6H13NO3
- Molecular weight
- 147.17
Names & synonyms
CHEMBL1818321(3S,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol346408-24-0BDBM503507613,4-Piperidinediol, 5-(hydroxymethyl)-, (3R,4S,5S)-rel-3,4-Piperidinediol, 5-(hydroxymethyl)-, (3R,4S,5S)-rel- (9CI)
Database identifiers
- CAS
275363-98-9- ChEMBL
CHEMBL1818321- Nikkaji
- J1.288.462A
Properties
Computed structural properties
- XLogP
- -1.5
- 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
- 109
Physicochemical properties
- Boiling point
- 317.184 · 317.184±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.192 · 14.192±0.60(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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