3,4,5-Trihydroxy-6-[5-Hydroxy-6-Methyl-2-(2,4,5-Trihydroxy-6-Methyloxan-3-Yl)Oxy-4-(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxyoxan-3-Yl]Oxyoxane-2-Carboxylic Acid
[CAS# 139723-49-2]

Identification

• Name: 3,4,5-Trihydroxy-6-[5-Hydroxy-6-Methyl-2-(2,4,5-Trihydroxy-6-Methyloxan-3-Yl)Oxy-4-(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxyoxan-3-Yl]Oxyoxane-2-Carboxylic Acid
• Synonyms: 3,4,5-Trihydroxy-6-[5-Hydroxy-6-Methyl-2-(2,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-3-Yl)Oxy-4-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-3-Yl]Oxy-Tetrahydropyran-2-Carboxylic Acid; 3,4,5-Trihydroxy-6-[[5-Hydroxy-6-Methyl-2-[(2,4,5-Trihydroxy-6-Methyl-3-Tetrahydropyranyl)Oxy]-4-[(3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-3-Tetrahydropyranyl]Oxy]-2-Tetrahydropyrancarboxylic Acid; 3,4,5-Trihydroxy-6-[5-Hydroxy-6-Methyl-2-(2,4,5-Trihydroxy-6-Methyl-Oxan-3-Yl)Oxy-4-(3,4,5-Trihydroxy-6-Methyl-Oxan-2-Yl)Oxy-Oxan-3-Yl]Oxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₂₄H₄₀O₁₉
• Molecular Weight: 632.57
• CAS Registry Number: 139723-49-2
• SMILES: CC4C(C(C(OC2C(C(OC1C(C(C(C(O1)C)O)O)O)C(C(O2)C)O)OC3C(C(C(C(O3)C(O)=O)O)O)O)C(O4)O)O)O
• InChI: 1S/C24H40O19/c1-4-8(26)12(30)18(21(36)37-4)42-24-19(43-23-15(33)11(29)13(31)17(41-23)20(34)35)16(9(27)6(3)39-24)40-22-14(32)10(28)7(25)5(2)38-22/h4-19,21-33,36H,1-3H3,(H,34,35)
• InChIKey: WJRXXXYYZXLQTJ-UHFFFAOYSA-N

Properties

• Density: 1.719g/cm³ (Cal.)
• Boiling point: 947.293°C at 760 mmHg (Cal.)
• Flash point: 310.607°C (Cal.)