barium(2+); [(2R,3R,4S)-2,3,4-trihydroxy-5-oxo-6-phosphonatooxyhexyl] phosphate

Base Information

• Chemical Name: barium(2+); [(2R,3R,4S)-2,3,4-trihydroxy-5-oxo-6-phosphonatooxyhexyl] phosphate
• CAS No.: 6035-52-5
• Molecular Formula: C6H14 O12 P2 . 2 Ba
• Molecular Weight: 610.74
• European Community (EC) Number: 227-913-9
• Nikkaji Number: J208.502J
• Mol file: 6035-52-5.mol

Synonyms:6035-52-5;C6H14O12P2.2Ba;C6-H14-O12-P2.2Ba;Fructose, 1,6-diphosphate, di-Ba salt, D-;Barium-Fructose-1,6-Diphosphat;Barium fructose-1,6-diphosphate;barium(2+);[(2R,3R,4S)-2,3,4-trihydroxy-5-oxo-6-phosphonatooxyhexyl] phosphate;D-Fructose-1,6-bisphosphatedibarium salt;A833576;D-Fructose, 1,6-bis(dihydrogen phosphate), dibarium salt;barium (2R,3R,4S)-2,3,4-trihydroxy-5-oxohexane-1,6-diyl diphosphate;[(2R,3R,4S)-2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonatooxy-hexyl] phosphate

Chemical Property of barium(2+); [(2R,3R,4S)-2,3,4-trihydroxy-5-oxo-6-phosphonatooxyhexyl] phosphate

Chemical Property:

• PSA: 242.22000
• LogP: -1.39040
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 611.775244
• Heavy Atom Count: 22
• Complexity: 387

Purity/Quality:

99% ^*data from raw suppliers

D-Fructose-1,6-diphosphate dibarium salt ^*data from reagent suppliers

Safty Information:

• Statements: 20/22
• Safety Statements: 28

MSDS Files:

SDS file from LookChem

Useful:

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