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672-15-1 molecular structure
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(2S)-2-amino-4-hydroxybutanoic acid

ChemBase ID: 3806
Molecular Formular: C4H9NO3
Molecular Mass: 119.11916
Monoisotopic Mass: 119.05824315
SMILES and InChIs

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

Cite this record

CBID:3806 http://www.chembase.cn/molecule-3806.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 2.2233198  H Acceptors
H Donor LogD (pH = 5.5) -3.8276682 
LogD (pH = 7.4) -3.8344793  Log P -3.8277326 
Molar Refractivity 26.9064 cm3 Polarizability 10.868561 Å3
Polar Surface Area 83.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -3.31  LOG S 0.55 
Solubility (Water) 4.23e+02 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Water expand Show data source
Apperance
White to Off-White Solid expand Show data source
Melting Point
179-182°C (dec.) expand Show data source
203 °C (dec.)(lit.) expand Show data source
ca 203°C dec. expand Show data source
Optical Rotation
[α]20/D -9±1°, c = 2% in H2O expand Show data source
-9 (c=2 in water) expand Show data source
Storage Condition
2-8°C expand Show data source
Refrigerator expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
R:36/37/38 expand Show data source
Safety Statements
S:20-25-26-37/39 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99% expand Show data source
≥98.0% (NT) expand Show data source
95+% expand Show data source
98% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Loss on Drying
≤0.5% loss on drying expand Show data source
Linear Formula
HOCH2CH2CH(NH2)CO2H expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Sigma Aldrich Sigma Aldrich
DrugBank - DB04193 external link
Drug information: experimental
Sigma Aldrich - H6515 external link
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 external link
Other Notes
Substrate for the assay of homoserine dehydrogenase (EC 1.1.1.3)1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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