Basic information
- CAS
16712-79-1- Standard SMILES
NC(=O)C(O)[C@H](N)C(=O)O- InChIKey
VQTLPSCRBFYDNX-PIKHSQJKSA-N- Molecular formula
- C4H8N2O4
- Average molar mass
- 148.12 g/mol
- Monoisotopic mass
- 148.04840674
Overview
See also: 3-Hydroxyasparagine (annotation moved to).
Names & identifiers
- Preferred name
- (2S)-2,4-diamino-3-hydroxy-4-oxobutanoic acid
- IUPAC
- (2S)-2,4-diamino-3-hydroxy-4-oxobutanoic acid
- English name
- 3-hydroxyasparagine
- Molecular formula
- C4H8N2O4
- Molecular weight
- 148.12
Names & synonyms
(2S)-2,4-diamino-3-hydroxy-4-oxobutanoic acid89196-21-4asparagine, beta-hydroxy-4-Hydroxy-4-iminothreonineSCHEMBL18674604-Hydroxy-4-imino-L-threonineDTXSID80937284DL-Asparagine, 3-hydroxy-, threo-AKOS0063658813-hydroxyasparagineD-Asparagine, 3-hydroxy-, (3R)-rel- (9CI)
Database identifiers
- CAS
16712-79-1- PubChem CID
- 152191
- DTXSID
DTXSID80937284- Nikkaji
- J1.926.409B
Properties
Computed structural properties
- XLogP
- -5.1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 510.1 · 510.1±50.0 °C(Predicted)
- Density
- 1.611 · 1.611±0.06 g/cm3(Predicted)
- pka
- 2.15 · 2.15±0.10(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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