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Phytic acid

CAT: 1410-M19161-03Size: 1 gDry Ice: NoHazardous: No
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Description
Fytic acid is a complexing agent for removal of traces of heavy metal ions. It acts also as a hypocalcemic agent.
CAS Number
83-86-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
660.04
Molecular Formula
C6H18O24P6
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Phytate

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-).

CAS Number83-86-3
PubChem CID890
IUPAC Name(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate
Molecular FormulaC6H18O24P6
Molecular Weight660.04
XLogP-10.3
Topological Polar Surface Area401
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count24
Rotatable Bond Count12
Heavy Atom Count36
Formal Charge0
Complexity818
SMILES
C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
InChI
InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)
InChIKey
IMQLKJBTEOYOSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phytate
CAS: 83-86-3
CID: 890
Formula: C6H18O24P6
MW: 660.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight660.04
XLogP3-10.3
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count24
Rotatable Bond Count12
Exact Mass659.86137342
Monoisotopic Mass659.86137342
Topological Polar Surface Area401 Ų
Heavy Atom Count36
Formal Charge0
Complexity818
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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