sphinganine

Ligand id: 2453

Name: sphinganine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 16
Topological polar surface area 66.48
Molecular weight 301.3
XLogP 6.27
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(2S,3R)-2-aminooctadecane-1,3-diol
Synonyms
dihydro-D-erythrosphingosine | dihydrosphingosine
Database Links
BindingDB Ligand 50244355
CAS Registry No. 764-22-7 (source: Scifinder)
ChEBI CHEBI:16566
ChEMBL Ligand CHEMBL448741
PubChem CID 91486
Search Google for chemical match using the InChIKey OTKJDMGTUTTYMP-ZWKOTPCHSA-N
Search Google for chemicals with the same backbone OTKJDMGTUTTYMP
Search UniChem for chemical match using the InChIKey OTKJDMGTUTTYMP-ZWKOTPCHSA-N
Search UniChem for chemicals with the same backbone OTKJDMGTUTTYMP
Comments
The INN-assigned compound safingol has the same structure but different stereochemistry to sphinganine. For details of the structure of safingol, please see CID 3058739.