(2S)-2-amino-4-hydroxybutanoic acid

• ChemBase ID: 3806
• Molecular Formular: C4H9NO3
• Molecular Mass: 119.11916
• Monoisotopic Mass: 119.05824315
• SMILES: N[C@@H](CCO)C(=O)O
• Canonical SMILES: OCC[C@@H](C(=O)O)N
• InChI: InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
• InChIKey: UKAUYVFTDYCKQA-VKHMYHEASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-4-hydroxybutanoic acid
• IUPAC Traditional name: L-homoserine
• Synonyms: L-2-Amino-4-hydroxybutyric acid; H-Hser-OH; Hse; L-Homoserine; (S)-2-Amino-4-hydroxybutyric acid; L-Homoserine; 2-Amino-4-hydroxybutyric Acid; (S)-2-Amino-4-hydroxybutanoic Acid; NSC 206251; L-高丝氨酸

Database IDs

• CAS Number: 672-15-1
• EC Number: 211-590-6
• MDL Number: MFCD00063090
• Beilstein Number: 1721681
• Merck Index: 144739
• PubChem SID: 46504898; 160967243; 24895748
• PubChem CID: 12647

CALCULATED PROPERTIES

JChem

• Acid pKa: 2.2233198
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.8276682
• LogD (pH = 7.4): -3.8344793
• Log P: -3.8277326
• Molar Refractivity: 26.9064 cm^3
• Polarizability: 10.868561 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -3.31
• LOG S: 0.55
• Solubility (Water): 4.23e+02 g/l

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: White to Off-White Solid
• Melting Point: 179-182°C (dec.); 203 °C (dec.)(lit.); ca 203°C dec.
• Optical Rotation: [α]20/D -9±1°, c = 2% in H2O; -9 (c=2 in water)

Safety Information

• Storage Condition: 2-8°C; Refrigerator
• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39
• TSCA Listed: false; 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99%; ≥98.0% (NT); 95+%; 98%; 99%
• Loss on Drying: ≤0.5% loss on drying
• Linear Formula: HOCH2CH2CH(NH2)CO2H

DETAILS

MP Biomedicals - 02101983

Purity: 99+%

DrugBank - DB04193

Drug information: experimental

Sigma Aldrich - H6515

包装
1, 5 g in poly bottle
250 mg in poly bottle
10 mg in autosmp vl
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. H6515.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Sigma Aldrich - 53600

Other Notes
Substrate for the assay of homoserine dehydrogenase (EC 1.1.1.3)1