97635-26-2 Purity
96%
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The molecular formula of calcium glubionate is C18H32CaO19.
The synonyms of calcium glubionate are Calcium D-gluconate lactobionate calcium and (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate.
The molecular weight of calcium glubionate is 592.5 g/mol.
The component compounds of calcium glubionate are Lactobionic acid (CID 7314), Calcium (CID 5460341), and Gluconic Acid (CID 10690).
The IUPAC name of calcium glubionate is calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate.
The InChI of calcium glubionate is 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.
The Canonical SMILES of calcium glubionate is C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)[O-])O)O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Ca+2].
The CAS number of calcium glubionate is 97635-31-9.
The hydrogen bond acceptor count of calcium glubionate is 19.