Calcium 2,3-dihydroxy-3-(2-hydroxy-5-methylol-1,3,2-dioxaborolan-4-yl)propionate
[CAS# 87-46-7]

Identification

• Name: Calcium 2,3-dihydroxy-3-(2-hydroxy-5-methylol-1,3,2-dioxaborolan-4-yl)propionate
• Synonyms: Calcium 2,3-Dihydroxy-3-(2-Hydroxy-5-Methylol-1,3,2-Dioxaborolan-4-Yl)Propionate; Ai3-52160; Calcium Borogluconate
• Molecular Formula: C₁₂H₂₀B₂CaO₁₆
• Molecular Weight: 481.98
• CAS Registry Number: 87-46-7 (5743-34-0)
• SMILES: C(O)C1OB(OC1C(O)C(O)C([O-])=O)O.C(O)C2OB(OC2C(O)C(O)C([O-])=O)O.[Ca++]
• InChI: 1S/2C6H11BO8.Ca/c2*8-1-2-5(15-7(13)14-2)3(9)4(10)6(11)12;/h2*2-5,8-10,13H,1H2,(H,11,12);/q;;+2/p-2
• InChIKey: SSKRIDIHZLFJCG-UHFFFAOYSA-L

Properties

• Boiling point: 530.9°C at 760 mmHg (Cal.)
• Flash point: 274.9°C (Cal.)