2,5-Anhydro-D-Mannitol-1-Phosphate, Barium Salt Hydrate
[CAS# 52011-52-6]

Identification

• Name: 2,5-Anhydro-D-Mannitol-1-Phosphate, Barium Salt Hydrate
• Synonyms: [(2R,3S,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₆H₁₃O₈P
• Molecular Weight: 244.14
• CAS Registry Number: 52011-52-6
• SMILES: [C@@H]1([C@@H]([C@H](O[C@@H]1CO)CO[P](O)(O)=O)O)O
• InChI: 1S/C6H13O8P/c7-1-3-5(8)6(9)4(14-3)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6-/m1/s1
• InChIKey: XYTKBMAMGDBXPU-KVTDHHQDSA-N

Properties

• Density: 1.758g/cm³ (Cal.)
• Boiling point: 571.674°C at 760 mmHg (Cal.)
• Flash point: 299.538°C (Cal.)