Hexa-O-Acetyl-Cellobial
[CAS# 67314-36-7]

Identification

• Name: Hexa-O-Acetyl-Cellobial
• Synonyms: [(2S,3R,4S,5R,6R)-3,5-Diacetoxy-2-[[(2R,3S,4R)-4-Acetoxy-2-(Acetoxymethyl)-3,4-Dihydro-2H-Pyran-3-Yl]Oxy]-6-(Acetoxymethyl)Tetrahydropyran-4-Yl] Acetate; Acetic Acid [(2S,3R,4S,5R,6R)-3,5-Diacetoxy-2-[[(2R,3S,4R)-4-Acetoxy-2-(Acetoxymethyl)-3,4-Dihydro-2H-Pyran-3-Yl]Oxy]-6-(Acetoxymethyl)-4-Tetrahydropyranyl] Ester; Acetic Acid [(2S,3R,4S,5R,6R)-3,5-Diacetoxy-2-[[(2R,3S,4R)-4-Acetoxy-2-(Acetoxymethyl)-3,4-Dihydro-2H-Pyran-3-Yl]Oxy]-6-(Acetoxymethyl)Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₂₄H₃₂O₁₅
• Molecular Weight: 560.51
• CAS Registry Number: 67314-36-7
• SMILES: [C@@H]1(OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](O[C@H]1O[C@H]2[C@H](OC(=O)C)C=CO[C@@H]2COC(=O)C)COC(=O)C
• InChI: 1S/C24H32O15/c1-11(25)32-9-18-20(17(7-8-31-18)34-13(3)27)39-24-23(37-16(6)30)22(36-15(5)29)21(35-14(4)28)19(38-24)10-33-12(2)26/h7-8,17-24H,9-10H2,1-6H3/t17-,18-,19-,20+,21-,22+,23-,24+/m1/s1
• InChIKey: RCDAESHZJBZWAW-VATBRQMMSA-N

Properties

• Density: 1.341g/cm³ (Cal.)
• Boiling point: 591.672°C at 760 mmHg (Cal.)
• Flash point: 249.222°C (Cal.)