Calcium Gluceptate, Hemiheptahydrate
[CAS# 29039-00-7]

Identification

• Name: Calcium Gluceptate, Hemiheptahydrate
• Synonyms: Calcium (3R,4S,5R,6R)-2,3,4,5,6,7-Hexahydroxyenanthate; D00934; Calcii Glucoheptonas [Inn-Latin]
• Molecular Formula: C₁₄H₂₆CaO₁₆
• Molecular Weight: 490.43
• CAS Registry Number: 29039-00-7
• EINECS: 249-383-8
• SMILES: [C@@H](O)([C@@H](O)C(O)C([O-])=O)[C@H](O)[C@H](O)CO.[C@@H](O)([C@@H](O)C(O)C([O-])=O)[C@H](O)[C@H](O)CO.[Ca++]
• InChI: 1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6?;/m11./s1
• InChIKey: FATUQANACHZLRT-KMRXSBRUSA-L

Properties

• Boiling point: 727.8°C at 760 mmHg (Cal.)
• Flash point: 407.9°C (Cal.)