D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1)

Base Information

• Chemical Name: D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1)
• CAS No.: 53736-12-2
• Molecular Formula: C6H8 O7 . x Ca
• Molecular Weight: 0
• European Community (EC) Number: 246-542-3
• Mol file: 53736-12-2.mol

Synonyms:2,5-diketo-D-gluconate;2,5-diketogluconate;2,5-dioxo-D-gluconate

Chemical Property of D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1)

Chemical Property:

• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 422.0009460
• Heavy Atom Count: 27
• Complexity: 228

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C(=O)C(C(C(=O)C(=O)[O-])O)O)O.C(C(=O)C(C(C(=O)C(=O)[O-])O)O)O.[Ca+2]
• Isomeric SMILES: C(C(=O)[C@H]([C@@H](C(=O)C(=O)[O-])O)O)O.C(C(=O)[C@H]([C@@H](C(=O)C(=O)[O-])O)O)O.[Ca+2]