inositol 4-phosphate

Ligand id: 5205

Name: inositol 4-phosphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 7
Rotatable bonds 2
Topological polar surface area 177.72
Molecular weight 260.03
XLogP -3.55
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
{[(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid
Synonyms
1D-myo-inositol 4-phosphate
Database Links
CAS Registry No. 46495-39-0
ChEBI CHEBI:18384
Human Metabolome Database HMDB01313
PubChem CID 440043
RCSB PDB Ligand I4D
Search Google for chemical match using the InChIKey INAPMGSXUVUWAF-CNWJWELYSA-N
Search Google for chemicals with the same backbone INAPMGSXUVUWAF
Comments
One of the myo-inositol monophosphates