Calcium (3S,4S,5R)-4,5-Dihydroxy-2-Oxo-6-Phosphonooxyhexane-1,3-Diolate
[CAS# 34405-73-7]

Identification

• Name: Calcium (3S,4S,5R)-4,5-Dihydroxy-2-Oxo-6-Phosphonooxyhexane-1,3-Diolate
• Synonyms: Calcium (3S,4S,5R)-4,5-Dihydroxy-2-Oxo-6-Phosphonooxy-Hexane-1,3-Diolate; Calcium (3S,4S,5R)-4,5-Dihydroxy-2-Keto-6-Phosphonooxy-Hexane-1,3-Diolate; D-Fructose, 6-(Dihydrogen Phosphate) Ester, Calcium Salt
• Molecular Formula: C₆H₁₁CaO₉P
• Molecular Weight: 298.20
• CAS Registry Number: 34405-73-7
• EINECS: 252-000-7
• SMILES: [C@H]([O-])([C@H](O)[C@H](O)CO[P](=O)(O)O)C(C[O-])=O.[Ca++]
• InChI: 1S/C6H11O9P.Ca/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;/h4-6,9,11H,1-2H2,(H2,12,13,14);/q-2;+2/t4-,5-,6-;/m1./s1
• InChIKey: ASVYTZKTCXXKMR-RWOHWRPJSA-N

Properties

• Boiling point: 697.7°C at 760 mmHg (Cal.)
• Flash point: 375.7°C (Cal.)