(3R,6R)-3-hydroxy-3,6-dimethylpiperazine-2,5-dione
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Basic information
- CAS
126266-47-5- Standard SMILES
C[C@H]1NC(=O)[C@@](C)(O)NC1=O- InChIKey
PLXRPOZBZWVXCG-AWFVSMACSA-N- Molecular formula
- C6H10N2O3
- Average molar mass
- 158.16 g/mol
- Monoisotopic mass
- 158.06914219
Names & identifiers
- Preferred name
- (3R,6R)-3-hydroxy-3,6-dimethylpiperazine-2,5-dione
- IUPAC
- (3R,6R)-3-hydroxy-3,6-dimethylpiperazine-2,5-dione
- English name
- 2,5-Piperazinedione,3-hydroxy-3,6-dimethyl-,cis-(9CI)
- Molecular formula
- C6H10N2O3
- Molecular weight
- 158.16
Names & synonyms
126266-47-5(3R,6R)-3-HYDROXY-3,6-DIMETHYLPIPERAZINE-2,5-DIONE2,5-Piperazinedione,3-hydroxy-3,6-dimethyl-,cis-(9CI)2,5-Piperazinedione, 3-hydroxy-3,6-dimethyl-, (3R,6R)-rel-
Database identifiers
- CAS
126266-47-5- PubChem CID
- 14428720
Properties
Computed structural propertiesFilling in
- XLogP
- -1.3
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 530.6 · 530.6±50.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- pka
- 11.36 · 11.36±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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