4,5,-IP2

Ligand id: 5119

Name: 4,5,-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 -5.2
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
{[(1R,2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Synonyms
1D-myo-inositol 4,5-bisphosphate
Database Links
CAS Registry No. 93060-87-8
ChEBI CHEBI:18156
ChEMBL Ligand CHEMBL21825
PubChem CID 125004
RCSB PDB Ligand IP2
Search Google for chemical match using the InChIKey MCKAJXMRULSUKI-UZAAGFTCSA-N
Search Google for chemicals with the same backbone MCKAJXMRULSUKI