1,5,-IP2

Ligand id: 5099

Name: 1,5,-IP2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 8
Rotatable bonds 4
Topological polar surface area 234.06
Molecular weight 340
XLogP -5.63
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
[(1R,2S,4R,5S)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl] dihydrogen phosphate
Database Links
ChEBI CHEBI:18225
DrugBank Ligand DB02942
PubChem CID 128419
Search Google for chemical match using the InChIKey PUVHMWJJTITUGO-WJPCITMWSA-N
Search Google for chemicals with the same backbone PUVHMWJJTITUGO