(3S)-3-azaniumyl-4-hydroxybutanoate
Basic information
- CAS
16504-57-7- Standard SMILES
[NH3+][C@H](CO)CC(=O)[O-]- InChIKey
BUZICZZQJDLXJN-VKHMYHEASA-N- Molecular formula
- C4H9NO3
- Average molar mass
- 119.12 g/mol
- Monoisotopic mass
- 119.05824315
Overview
See also: (3S)-3-Amino-4-hydroxybutanoic acid (preferred).
Names & identifiers
- Preferred name
- (3S)-3-azaniumyl-4-hydroxybutanoate
- IUPAC
- (3S)-3-azaniumyl-4-hydroxybutanoate
- English name
- D-beta-Homoserine
- Molecular formula
- C4H9NO3
- Molecular weight
- 119.12
Names & synonyms
(S)-3-AMino-4-hydroxybutanoic acidASPARTIMOLH-β-HoSer-OHH-D-b-HoSer-OHD-β-homoserineD-β-Homo-Ser-OHH-D-beta-HSer-OHH-D-BETA-HOSER-OHH-D-SER-(C*CH2)OHD-beta-Homoserine
Database identifiers
- CAS
16504-57-7- PubChem CID
- 7122912
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 77.8
Physicochemical properties
- Melting point
- 223 · 223-225 °C
- Boiling point
- 374.5 · 374.5±32.0 °C(Predicted)
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- Solid
- pka
- 3.69 · 3.69±0.10(Predicted)
- color
- Off-white to light yellow
- optical activity
- Consistent with structure
- FDA UNII
- 68 AF4296K8 · 68AF4296K8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses(S)-3-Amino-4-hydroxybutanoic acid is a serine derivative[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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