DL-threo-β-hydroxyaspartate

Ligand id: 4497

Name: DL-threo-β-hydroxyaspartate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 3
Topological polar surface area 120.85
Molecular weight 149.03
XLogP -4.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S,3S)-2-amino-3-hydroxybutanedioic acid
Database Links
CAS Registry No. 7298-99-9 (source: Scifinder)
ChEMBL Ligand CHEMBL1231330
GtoPdb PubChem SID 178101225
PubChem CID 443239
RCSB PDB Ligand BHD
Search Google for chemical match using the InChIKey YYLQUHNPNCGKJQ-LWMBPPNESA-N
Search Google for chemicals with the same backbone YYLQUHNPNCGKJQ
Search UniChem for chemical match using the InChIKey YYLQUHNPNCGKJQ-LWMBPPNESA-N
Search UniChem for chemicals with the same backbone YYLQUHNPNCGKJQ
Wikipedia 3-Hydroxyaspartic acid