Calcium (2ξ)-D-arabino-hexonate (2ξ)-4-O-β-D-mannopyranosyl-D-ribo-hexonate (1:1:1)

More details:

• Systematic name

  Calcium (2xi)-D-arabino-hexonate (2xi)-4-O-beta-D-mannopyranosyl-D-ribo-hexonate (1:1:1)

• SMILES

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

• 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-ZASMUCIISA-L

• Cite this record

  CSID:114395164, http://www.chemspider.com/Chemical-Structure.114395164.html (accessed 18:46, Apr 29, 2024)