Molecular Identity
Phytate
(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate
PubChem CID: 890
Myo-inositol hexakisphosphate is a myo-inositol hexakisphosphate in which each hydroxy group of myo-inositol is monophosphorylated. It has a role as a cofactor, an antineoplastic agent, an iron chelator, a signalling molecule, a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a myo-inositol hexakisphosphate(12-).
2D Structure
Properties
C6H18O24P6
Molecular Formula
660.04
Molecular Weight
g/mol
659.8614
Exact Mass
Da
-10.3
XLogP
Drug-like (Lipinski: < 5)
401
TPSA
May have limited oral absorption
12
H-Bond Donors
24
H-Bond Acceptors
818
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Phytate(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphateInositol 1,2,3,4,5,6-hexakisphosphateRefChem:929237Phytic acid83-86-3Fytic acidAlkalovertInositol hexaphosphatemyo-inositol hexakisphosphatemyo-Inositol hexaphosphateAcide fytiqueAcido fiticoAlkovertExfoderm
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Phytate
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