1,4,-IP2

Ligand id: 5098

Name: 1,4,-IP2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 245.38
Molecular weight 335.96
XLogP -5.63
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
[(2R,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-phosphonatooxycyclohexyl] phosphate
Synonyms
1D-myo-inositol 1,4-bisphosphate | inositol 1,4-bis(phosphate)
Database Links
CAS Registry No. 47055-78-7
ChEBI CHEBI:58282
PubChem CID 25203530
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