THREO-3-HYDROXY-DL-ASPARTIC ACID

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key YYLQUHNPNCGKJQ-RJIDHLEBSA-N
Smiles O=C(O)C(N)[C@@H](O)C(O)=O
InChI
InChI=1/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7NO5
Molecular Weight 149.03
AlogP -2.16
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 120.85
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 4294-45-5
NORMAN SUSDAT
CONTENTS