Fructose 1-(barium phosphate)

Base Information

• Chemical Name: Fructose 1-(barium phosphate)
• CAS No.: 53823-70-4
• Molecular Formula: C6H13 O9 P . Ba
• Molecular Weight: 395.45
• European Community (EC) Number: 258-811-2
• DSSTox Substance ID: DTXSID20968613
• Nikkaji Number: J208.503H
• Mol file: 53823-70-4.mol

Synonyms:barium(2+);[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] phosphate;Barium (3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl phosphate;Fructose 1-(barium phosphate);starbld0009595;SCHEMBL11064239;DTXSID20968613;Barium 1-O-phosphonatohex-2-ulose;EINECS 258-811-2

Chemical Property of Fructose 1-(barium phosphate)

Chemical Property:

• Vapor Pressure: 3.49E-22mmHg at 25°C
• Boiling Point: 692.5°Cat760mmHg
• Flash Point: 372.6°C
• PSA: 172.38000
• Density: g/cm³
• LogP: -2.22640
• Storage Temp.: −20°C
• Solubility.: Aqueous Acid (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 395.919316
• Heavy Atom Count: 17
• Complexity: 262

Purity/Quality:

98%Min ^*data from raw suppliers

D-Fructose 1-phosphate barium salt trihydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/22
• Safety Statements: 28

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(C(C(C(=O)COP(=O)([O-])[O-])O)O)O)O.[Ba+2]
• Isomeric SMILES: C([C@H]([C@H]([C@@H](C(=O)COP(=O)([O-])[O-])O)O)O)O.[Ba+2]
• Uses: D-Fructose 1-Phosphate Barium Salt (>90%) is used in the cyanogen induced phosphorylation of D-?fructose.