| SpectraBase Compound ID | JGwrFgACoyl |
|---|---|
| InChI | InChI=1S/2C6H18O24P6.5Ca.Mg.H2O/c2*7-31(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;;;;;;;/h2*1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;;1H2/q;;6*+2;/p-12/t2*1-,2-,3-,4+,5-,6-;;;;;;; |
| InChIKey | ADZXSKHSICXXDR-VADFDGLXSA-B |
| Mol Weight | 1550.673 g/mol |
| Molecular Formula | C12H26Ca5MgO49P12 |
| Exact Mass | 1549.437407 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | APRJ8hiwYgg |
|---|---|
| Name | myo-INOSITOL, HEXAKIS(DIHYDROGEN PHOSPHATE), CALCIUM MAGNESIUM SALT (2:5:1), HYDRATED |
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Catalog Number | S56344 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H26Ca5MgO49P12 |
| InChI | InChI=1S/2C6H18O24P6.5Ca.Mg.H2O/c2*7-31(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;;;;;;;/h2*1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;;1H2/q;;6*+2;/p-12/t2*1-,2-,3-,4+,5-,6-;;;;;;; |
| InChIKey | ADZXSKHSICXXDR-VADFDGLXSA-B |
| Molecular Weight | 1550.673144 |
| SMILES | OP(OC1C(C(C(OP(=O)(O)[O-])C(C1OP(=O)(O)[O-])OP(=O)(O)[O-])OP(=O)([O-])O)OP([O-])(=O)O)(=O)[O-].OP(OC1C(C(C(OP(=O)(O)[O-])C(C1OP(=O)(O)[O-])OP(=O)(O)[O-])OP(=O)([O-])O)OP([O-])(=O)O)(=O)[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Mg+2].O |
| Synonyms | MYOINOSITOL, HEXAKIS/DIHYDROGEN PHOSPHATE/, CALCIUM MAGNESIUM SALT /2 TO 5 TO 1/, HYDRATED PHYTIN |
| Technique | KBr WAFER |