myo-Inositol, 1,2,3,4,5,6-hexakis(dihydrogen phosphate), ion(12-)
CAS Registry Number®
3929-21-3
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CAS Name
myo-Inositol, 1,2,3,4,5,6-hexakis(dihydrogen phosphate), ion(12-)Molecular Formula
C6H6O24P6Cite 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?ref=3929-21-3 (retrieved ) (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-)
