Phytic acid

Catalog	ACM83863-1
CAS	83-86-3
Structure
Synonyms	(2,3,4,5,6-Pentaphosphonooxycyclohexyl) dihydrogen phosphate
IUPAC Name	(2,3,4,5,6-Pentaphosphonooxycyclohexyl) dihydrogen phosphate
Molecular Weight	660.04
Molecular Formula	C6H18O24P6
Canonical 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)
InChI Key	IMQLKJBTEOYOSI-UHFFFAOYSA-N
Boiling Point	<25 °C
Melting Point	<25 °C
Purity	98%
Density	1.432 g/ml
Appearance	Light yellow slurry liquid
Exact Mass	659.86137342
Monoisotopic Mass	659.86137342
Physical State	Liquid
Refractive Index	n20/D 1.40(lit.)
Storage Conditions	2-8 °C
Topological Polar Surface Area	401 Ų