(3S,4R,5S)-1,3,4,5,6-Pentahydroxyhexan-2-One
[CAS# 3615-39-2]

Identification

• Name: (3S,4R,5S)-1,3,4,5,6-Pentahydroxyhexan-2-One
• Synonyms: 85541_Fluka; Sorbose (Van); L-(-)-Sorbose
• Molecular Formula: C₆H₁₂O₆
• Molecular Weight: 180.16
• CAS Registry Number: 3615-39-2
• SMILES: [C@@H](O)([C@@H](O)CO)[C@H](O)C(=O)CO
• InChI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m0/s1
• InChIKey: BJHIKXHVCXFQLS-OTWZMJIISA-N

Properties

• Density: 1.589g/cm³ (Cal.)
• Boiling point: 551.742°C at 760 mmHg (Cal.)
• Flash point: 301.544°C (Cal.)

References

• (1): Joseph B. BinderPresent address: Energy Biosciences Institute, University of California, Berkeley, California, 94720, USA., Anthony V. Cefali, Jacqueline J. Blank and Ronald T. Raines. Mechanistic insights on the conversion of sugars into 5-hydroxymethylfurfural, Energy Environ. Sci., 2010, 3, 765.