2,3,4-Tri-O-Acetyl-alpha-D-Arabinopyranosyl Isothiocyanate
[CAS# 62414-75-9]

Identification

• Classification: Analytical chemistry >> Analytical reagent >> Common analytical reagents
• Name: 2,3,4-Tri-O-Acetyl-alpha-D-Arabinopyranosyl Isothiocyanate
• Synonyms: [(2S,3S,4R,5R)-3,5-Diacetoxy-2-Isothiocyanato-Tetrahydropyran-4-Yl] Acetate; Acetic Acid [(2S,3S,4R,5R)-3,5-Diacetoxy-2-Isothiocyanato-4-Tetrahydropyranyl] Ester; Acetic Acid [(2S,3S,4R,5R)-3,5-Diacetoxy-2-Isothiocyanato-Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₁₂H₁₅NO₇S
• Molecular Weight: 317.31
• CAS Registry Number: 62414-75-9
• SMILES: S=C=N[C@H]1OC[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
• InChI: 1S/C12H15NO7S/c1-6(14)18-9-4-17-12(13-5-21)11(20-8(3)16)10(9)19-7(2)15/h9-12H,4H2,1-3H3/t9-,10-,11+,12+/m1/s1
• InChIKey: RCHZRAFPHKCWRI-WYUUTHIRSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Boiling point: 401.57°C at 760 mmHg (Cal.)
• Flash point: 196.663°C (Cal.)