(3R,5R)-1,3,4,5-Tetrakis[(3,4,5-Trihydroxybenzoyl)Oxy]Cyclohexane-1-Carboxylic Acid
[CAS# 109008-79-9]

Identification

• Name: (3R,5R)-1,3,4,5-Tetrakis[(3,4,5-Trihydroxybenzoyl)Oxy]Cyclohexane-1-Carboxylic Acid
• Synonyms: (3R,5R)-1,3,4,5-Tetrakis[Oxo-(3,4,5-Trihydroxyphenyl)Methoxy]-1-Cyclohexanecarboxylic Acid; (3R,5R)-1,3,4,5-Tetrakis[(3,4,5-Trihydroxyphenyl)Carbonyloxy]Cyclohexane-1-Carboxylic Acid; 1,3,4,5-Tetraggqa
• Molecular Formula: C₃₅H₂₈O₂₂
• Molecular Weight: 800.59
• CAS Registry Number: 109008-79-9
• SMILES: [C@H]5(OC(=O)C1=CC(=C(O)C(=C1)O)O)C(OC(=O)C2=CC(=C(O)C(=C2)O)O)[C@H](OC(=O)C3=CC(=C(O)C(=C3)O)O)CC(OC(=O)C4=CC(=C(O)C(=C4)O)O)(C5)C(O)=O
• InChI: 1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(48)54-23-9-35(34(52)53,57-33(51)14-7-21(42)28(47)22(43)8-14)10-24(55-31(49)12-3-17(38)26(45)18(39)4-12)29(23)56-32(50)13-5-19(40)27(46)20(41)6-13/h1-8,23-24,29,36-47H,9-10H2,(H,52,53)/t23-,24-,29?,35?/m1/s1
• InChIKey: JQVXKQDWMIXILH-JHZIIMIVSA-N

Properties

• Density: 2.023g/cm³ (Cal.)
• Boiling point: 1250.586°C at 760 mmHg (Cal.)
• Flash point: 389.958°C (Cal.)