Phytate

nonasodium;[2,3,4-tris[[hydroxy(oxido)phosphoryl]oxy]-5,6-diphosphonatooxycyclohexyl] phosphate

Also Known As: Phytate, PHYTATE SODIUM, Phytate sodium [USAN], myo-Inositol, hexakis(dihydrogen phosphate), nonasodium salt, Inositol, hexakis(dihydrogen phosphate), nonasodium salt, myo-, nonasodium [2,3,4-tris[[hydroxy(oxido)phosphoryl]oxy]-5,6-diphosphonatooxycyclohexyl] phosphate

Molecular Formula	C6H9Na9O24P6
Molecular Weight	857.69885 g/mol
LogP	-35.78
Topological Polar Surface Area	426.03 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	21
Rotatable Bonds	12
Exact Mass	857.69885
Heavy Atoms	45
Complexity	850

Chemical Identifiers

CAS Number	7205-52-9
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+].[Na+].[Na+].[Na+]