Basic information
- CAS
51939-52-7- Standard SMILES
CC#C[C@@H](O)[C@H](N)C(=O)O- InChIKey
PCFXPXBZUKADGY-UHNVWZDZSA-N- Molecular formula
- C6H9NO3
- Average molar mass
- 143.14 g/mol
- Monoisotopic mass
- 143.05824315
Overview
(2S,3R)-2-amino-3-hydroxyhex-4-ynoic acid has been reported in Tricholomopsis rutilans with data available.
Names & identifiers
- Preferred name
- (2S,3R)-2-Amino-3-hydroxy-4-hexynoic acid
- IUPAC
- (2S,3R)-2-amino-3-hydroxyhex-4-ynoic acid
- English name
- (2S,3R)-2-Amino-3-hydroxy-4-hexynoic acid
- Molecular formula
- C6H9NO3
- Molecular weight
- 143.14
Names & synonyms
(2S,3R)-2-Amino-3-hydroxy-4-hexynoic acidAKOS00636502151939-52-7DB-2898074-Hexynoic acid, 2-amino-3-hydroxy-, (2S,3R)-
Database identifiers
- CAS
51939-52-7- PubChem CID
- 55291084
- Nikkaji
- J89.660H
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 376.6 · 376.6±42.0 °C(Predicted)
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- pka
- 1.91 · 1.91±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…