Calcium lactogluconate
[CAS# 52080-72-5]

Identification

• Name: Calcium lactogluconate
• Synonyms: Dicalcium; Lactate; (2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanoate; Calcium Lactogluconate; D-Gluconic Acid, Calcium Salt (2:1), Mixt. With 2-Hydroxypropanoic Acid Calcium Salt (2:1)
• Molecular Formula: C₁₈H₃₂Ca₂O₂₀
• Molecular Weight: 648.60
• CAS Registry Number: 52080-72-5
• SMILES: [C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)C([O-])=O.[C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)C([O-])=O.[Ca++].[O-]C(=O)C(O)C.[O-]C(=O)C(O)C.[Ca++]
• InChI: 1S/2C6H12O7.2C3H6O3.2Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;2*1-2(4)3(5)6;;/h2*2-5,7-11H,1H2,(H,12,13);2*2,4H,1H3,(H,5,6);;/q;;;;2*+2/p-4/t2*2-,3-,4+,5-;;;;/m11..../s1
• InChIKey: CHWIDOSGOMYENF-BMDZSJGYSA-J

Properties

• Boiling point: 673.6°C at 760 mmHg (Cal.)
• Flash point: 375.2°C (Cal.)