[(2S,3S,4R,5R,6S)-3,5-Bis(Benzoyloxy)-2-Bromo-6-Methyloxan-4-Yl] Benzoate
[CAS# 131897-73-9]

Identification

• Name: [(2S,3S,4R,5R,6S)-3,5-Bis(Benzoyloxy)-2-Bromo-6-Methyloxan-4-Yl] Benzoate
• Synonyms: [(2S,3S,4R,5R,6S)-3,5-Bis(Benzoyloxy)-2-Bromo-6-Methyl-Tetrahydropyran-4-Yl] Benzoate; Benzoic Acid [(2S,3S,4R,5R,6S)-2-Bromo-6-Methyl-3,5-Bis(Oxo-Phenylmethoxy)-4-Tetrahydropyranyl] Ester; Benzoic Acid [(2S,3S,4R,5R,6S)-3,5-Bis(Benzoyloxy)-2-Bromo-6-Methyl-Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₂₇H₂₃BrO₇
• Molecular Weight: 539.38
• CAS Registry Number: 131897-73-9
• SMILES: [C@H]3(OC(=O)C1=CC=CC=C1)[C@H](OC(=O)C2=CC=CC=C2)[C@H](Br)O[C@H]([C@H]3OC(=O)C4=CC=CC=C4)C
• InChI: 1S/C27H23BrO7/c1-17-21(33-25(29)18-11-5-2-6-12-18)22(34-26(30)19-13-7-3-8-14-19)23(24(28)32-17)35-27(31)20-15-9-4-10-16-20/h2-17,21-24H,1H3/t17-,21+,22+,23-,24+/m0/s1
• InChIKey: ZNQXFYBHGDPZCZ-JYZZCPHSSA-N

Properties

• Density: 1.464g/cm³ (Cal.)
• Boiling point: 621.888°C at 760 mmHg (Cal.)
• Flash point: 329.906°C (Cal.)