myo-Inositol, 1,2,3,4,5,6-hexakis(dihydrogen phosphate), ion(12-)

CAS Registry Number®

3929-21-3

CAS Name

myo-Inositol, 1,2,3,4,5,6-hexakis(dihydrogen phosphate), ion(12-)

Molecular Formula

C6H6O24P6

Cite this Page

myo-Inositol, 1,2,3,4,5,6-hexakis(dihydrogen phosphate), ion(12-).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3929-21-3 (retrieved 2024-12-22) (CAS RN: 3929-21-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/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)/p-12/t1-,2-,3-,4+,5-,6-

InChIKey

InChIKey=IMQLKJBTEOYOSI-GPIVLXJGNA-B

SMILES

O(P(=O)([O-])[O-])[C@H]1[C@@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@@H]1OP(=O)([O-])[O-]

Canonical SMILES

O=P([O-])([O-])OC1C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C1OP(=O)([O-])[O-]

Other Names for this Substance

  • myo-Inositol, 1,2,3,4,5,6-hexakis(dihydrogen phosphate), ion(12-)
  • myo-Inositol, hexakis(dihydrogen phosphate), ion(12-)
  • Phytate ion (12-)

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.