(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-Oxo-4-(Trifluoromethyl)Chromen-7-Yl]Oxyoxane-2-Carboxylic Acid
[CAS# 128095-54-5]

Identification

• Name: (2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-Oxo-4-(Trifluoromethyl)Chromen-7-Yl]Oxyoxane-2-Carboxylic Acid
• Synonyms: (2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-Oxo-4-(Trifluoromethyl)Chromen-7-Yl]Oxy-Tetrahydropyran-2-Carboxylic Acid; (2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[2-Oxo-4-(Trifluoromethyl)-7-Chromenyl]Oxy]-2-Tetrahydropyrancarboxylic Acid; (2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-Keto-4-(Trifluoromethyl)Chromen-7-Yl]Oxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₆H₁₃F₃O₉
• Molecular Weight: 406.27
• CAS Registry Number: 128095-54-5
• SMILES: [C@@H]3(OC2=CC1=C(C(=CC(O1)=O)C(F)(F)F)C=C2)O[C@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O
• InChI: 1S/C16H13F3O9/c17-16(18,19)7-4-9(20)27-8-3-5(1-2-6(7)8)26-15-12(23)10(21)11(22)13(28-15)14(24)25/h1-4,10-13,15,21-23H,(H,24,25)/t10-,11-,12+,13+,15+/m0/s1
• InChIKey: MCDDIRXDQVYRLC-RLPMIEJPSA-N

Properties

• Density: 1.775g/cm³ (Cal.)
• Boiling point: 623.862°C at 760 mmHg (Cal.)
• Flash point: 331.1°C (Cal.)