Calcium D-gluconate 4-O-β-D-gulopyranosyl-D-gluconate (1:1:1)

More details:

• Systematic name

  Calcium D-gluconate 4-O-beta-D-gulopyranosyl-D-gluconate (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.[Ca+2]

• Std. InChi

  InChI=1S/C12H22O12.C6H12O7.Ca/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);/q;;+2/p-2/t3-,4-,5+,6-,7-,8-,9-,10-,12+;2-,3-,4+,5-;/m11./s1

• Std. InChIKey

  YPCRNBPOUVJVMU-DTRXJECDSA-L

• Cite this record

  CSID:71360836, http://www.chemspider.com/Chemical-Structure.71360836.html (accessed 12:01, Apr 26, 2024)