3,4,6-Tri-O-Acetyl-1,5-Anhydro-2-Deoxy-D-Arabino-Hex-1-Enitol
[CAS# 174511-17-2]

Identification

• Name: 3,4,6-Tri-O-Acetyl-1,5-Anhydro-2-Deoxy-D-Arabino-Hex-1-Enitol
• Synonyms: (2R,3S,4R)-2-(Acetoxymethyl)-3,4-dihydro-2H-pyran-3,4-diyl diacetate; 1,2-Dideoxy-3,4,6-tri-O-acetyl-D-arabino-1-hexenopyranose; 1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol triacetate
• Molecular Formula: C₁₂H₁₆O₇
• Molecular Weight: 272.25
• CAS Registry Number: 174511-17-2
• SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H](C=CO1)OC(=O)C)OC(=O)C
• InChI: 1S/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12+/m1/s1
• InChIKey: LLPWGHLVUPBSLP-UTUOFQBUSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 55°C (Expl.)
• Boiling point: 343.1±42.0°C at 760 mmHg (Cal.)
• Flash point: 149.2±27.9°C (Cal.)
• Refractive index: 1.484 (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Dräger Gerald. Enzyme-purification and catalytic transformations in a microstructured PASSflow reactor using a new tyrosine-based Ni-NTA linker system attached to a polyvinylpyrrolidinone-based matrix, Organic & Biomolecular Chemistry, 2007