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60538-15-0 molecular structure
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methyl (2S,3S)-2-amino-3-hydroxybutanoate hydrochloride

ChemBase ID: 796333
Molecular Formular: C5H12ClNO3
Molecular Mass: 169.60668
Monoisotopic Mass: 169.05057093
SMILES and InChIs

SMILES:
Cl.C(=O)([C@H]([C@H](C)O)N)OC
Canonical SMILES:
COC(=O)[C@H]([C@@H](O)C)N.Cl
InChI:
InChI=1S/C5H11NO3.ClH/c1-3(7)4(6)5(8)9-2;/h3-4,7H,6H2,1-2H3;1H/t3-,4-;/m0./s1
InChIKey:
OZSJLLVVZFTDEY-MMALYQPHSA-N

Cite this record

CBID:796333 http://www.chembase.cn/molecule-796333.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (2S,3S)-2-amino-3-hydroxybutanoate hydrochloride
IUPAC Traditional name
methyl (2S,3S)-2-amino-3-hydroxybutanoate hydrochloride
Synonyms
(2R,3S)-Methyl 2-aMino-3-hydroxybutanoate hydrochloride
CAS Number
60538-15-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O2351 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O2351 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.668839  H Acceptors
H Donor LogD (pH = 5.5) -2.4646757 
LogD (pH = 7.4) -1.1809732  Log P -1.0631522 
Molar Refractivity 31.2289 cm3 Polarizability 12.918445 Å3
Polar Surface Area 72.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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