Calcium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-Hexahydroxyheptanoate Hydrate (1:2:2)
[CAS# 10030-53-2]

Identification

• Name: Calcium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-Hexahydroxyheptanoate Hydrate (1:2:2)
• Synonyms: Calcium α-D-heptagluconate hydrate; Calcium α-D-heptagluconate hydrate; D-Glycero-D-glucoheptonic acid calcium salt
• Molecular Formula: C₁₄H₃₀CaO₁₈
• Molecular Weight: 526.46
• CAS Registry Number: 10030-53-2
• SMILES: [Ca+2].[O-]C(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[O-]C(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O.O
• InChI: 1S/2C7H14O8.Ca.2H2O/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);;2*1H2/q;;+2;;/p-2/t2*2-,3-,4+,5-,6-;;;/m11.../s1
• InChIKey: JBMIEBJMNFOKBC-JRLDONDGSA-L

Properties

• Refractive index: (Cal.)