Inositol hexaphosphate calcium salt

More details:

• Systematic name

  Hexacalcium (1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-cyclohexanehexayl hexakis(phosphate)

• SMILES

  [C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]

• Std. InChi

  InChI=1S/C6H18O24P6.6Ca/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);;;;;;/q;6*+2/p-12/t1-,2-,3-,4+,5-,6-;;;;;;

• Std. InChIKey

  WPEXVRDUEAJUGY-BQYPOXACSA-B

• Cite this record

  CSID:18511795, http://www.chemspider.com/Chemical-Structure.18511795.html (accessed 09:39, Jun 1, 2024)