(2S,3S)-2-amino-3-hydroxyheptanoic acid
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Basic information
- CAS
206191-54-0- Standard SMILES
CCCC[C@H](O)[C@H](N)C(=O)O- InChIKey
HWUNCKBWHUGJNU-WDSKDSINSA-N- Molecular formula
- C7H15NO3
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.10519334
Names & identifiers
- Preferred name
- (2S,3S)-2-amino-3-hydroxyheptanoic acid
- IUPAC
- (2S,3S)-2-amino-3-hydroxyheptanoic acid
- English name
- Heptanoic acid, 2-amino-3-hydroxy-, (2S,3S)- (9CI)
- Molecular formula
- C7H15NO3
- Molecular weight
- 161.2
Names & synonyms
SCHEMBL19165268(2S,3S)-2-Amino-3-hydroxy-heptanoic acidHeptanoic acid, 2-amino-3-hydroxy-, (2S,3S)-Heptanoic acid, 2-amino-3-hydroxy-, (2S,3S)- (9CI)
Database identifiers
- CAS
206191-54-0- PubChem CID
- 10511173
Properties
Computed structural propertiesFilling in
- XLogP
- -2.2
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 223 · 223-224 °C (decomp)
- Boiling point
- 337.5 · 337.5±32.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- pka
- 2.39 · 2.39±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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