Calcium glubionate monohydrate

More details:

• Systematic name

  Calcium 4-O-beta-D-galactopyranosyl-D-gluconate D-gluconate hydrate (1:1:1:1)

• SMILES

  C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.O.[Ca+2]

• Std. InChi

  InChI=1S/C12H22O12.C6H12O7.Ca.H2O/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;7-1-2(8)3(9)4(10)5(11)6(12)13;;/h3-10,12-20H,1-2H2,(H,21,22);2-5,7-11H,1H2,(H,12,13);;1H2/q;;+2;/p-2/t3-,4-,5+,6+,7-,8-,9-,10-,12+;2-,3-,4+,5-;;/m11../s1

• Std. InChIKey

  OKRXSXDSNLJCRS-NLOQLBMISA-L

• Cite this record

  CSID:23833, http://www.chemspider.com/Chemical-Structure.23833.html (accessed 23:56, Apr 19, 2024)