(3S,4S,5R)-3-methyldiazinane-4,5-diol
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Basic information
- CAS
193808-59-2- Standard SMILES
C[C@@H]1NNC[C@@H](O)[C@H]1O- InChIKey
SFWAQASNOSFXTF-LMVFSUKVSA-N- Molecular formula
- C5H12N2O2
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.08987763
Names & identifiers
- Preferred name
- (3S,4S,5R)-3-methyldiazinane-4,5-diol
- IUPAC
- (3S,4S,5R)-3-methyldiazinane-4,5-diol
- English name
- 4,5-Pyridazinediol,hexahydro-3-methyl-,(3alpha,4beta,5beta)-(9CI)
- Molecular formula
- C5H12N2O2
- Molecular weight
- 132.16
Names & synonyms
4,5-Pyridazinediol, hexahydro-3-methyl-, (3R,4R,5S)-rel-4,5-Pyridazinediol,hexahydro-3-methyl-,(3alpha,4beta,5beta)-(9CI)
Database identifiers
- CAS
193808-59-2- PubChem CID
- 10725387
Properties
Computed structural propertiesFilling in
- XLogP
- -1.5
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99
Physicochemical properties
- Boiling point
- 224.344 · 224.344±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.175 · 1.175±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.057 · 14.057±0.60(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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