calcitriol-26,23-lactone

Ligand id: 2786

Name: calcitriol-26,23-lactone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 86.99
Molecular weight 444.29
XLogP 5.26
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(3R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyloxolan-2-one
Synonyms
(23S,25R)-1α,25-(OH)2D3-26,23-lactone
1,25-dihydroxyvitamin D3-26,23-lactone
1,25-lactone
Database Links
CAS Registry No. 81203-50-1 (source: PubChem)
Human Metabolome Database HMDB00969
PubChem CID 6438368
Search Google for chemical match using the InChIKey WMYIVSWWSRCZFA-RWVJFQLJSA-N
Search Google for chemicals with the same backbone WMYIVSWWSRCZFA