Glubionate Calcium Hydrate

Product Specifications

CAS Number

12569-38-9

Synonyms

Calcium, (4-O-β-D-galactopyranosyl-D-gluconato)(D-gluconato)-, monohydrate; D-Gluconic acid, 4-O-β-D-galactopyranosyl-, calcium complex; D-Gluconic acid, calcium complex; Calcium glubionate; Calcium glucono-galacto-gluconate; Calcium gluconolactobionate;

Hazard Statement

No Data Available

Smiles

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

Molecular Formula

C12 H21 O12 . C6 H11 O7 . Ca . H2 O

Molecular Weight

610.529

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

Additionnal Information

IUPAC name: 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;hydrate