Calcium glubionate anhydrous
[CAS# 31959-85-0]

Identification

• Name: Calcium glubionate anhydrous
• Synonyms: 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)Tetrahydropyran-2-Yl]Oxy-Hexanoate; 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)-2-Tetrahydropyranyl]Oxy]Hexanoate
• Molecular Formula: C₁₈H₃₂CaO₁₉
• Molecular Weight: 592.52
• CAS Registry Number: 31959-85-0
• SMILES: [C@@H](C([O-])=O)(O)[C@@H](O)[C@H](O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)[C@H](O)CO.[C@@H](C([O-])=O)(O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ca++]
• 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
• InChIKey: YPCRNBPOUVJVMU-LCGAVOCYSA-L

Properties

• Boiling point: 864.7°C at 760 mmHg (Cal.)
• Flash point: 319.1°C (Cal.)