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Chemical structure of D-myo-Inositol-1,2,3,4,5,6-hexaphosphate (sodium salt)

GC43504

D-myo-Inositol-1,2,3,4,5,6-hexaphosphate (sodium salt)

Also known as hexasodium;[2,3,4,5,6-pentakis[[hydroxy(oxido)phosphoryl]oxy]cyclohexyl] hydrogen phosphate

Phytic acid (Inositol hexaphosphate) hexasodium is a phosphorus storage compound of seeds and cereal grains

ChemicalCAS34367-89-0MW791.9FormulaC6H12O24P6•6Na
CAS number
34367-89-0
Molecular weight
791.9
Formula
C6H12O24P6•6Na
Solubility
Water： 50 mg/ml
InChIKey
DHZIAGCFFSRULK-UHFFFAOYSA-H
Catalogue number
GC43504
Brand
GLPBIO
Computed properties PubChem CID 91667962 · TPSA 418 Ų · H-bond donors 6 · H-bond acceptors 24
TPSA
418 Ų
H-bond donors
6
H-bond acceptors
24
Rotatable bonds
12
Heavy atoms
42

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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Computed descriptors from PubChem (CID 91667962), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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