6-[2-[4-[4,5-Dihydroxy-3-(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxyoxan-2-Yl]Oxy-5,6-Dihydroxyoxan-3-Yl]Oxy-4,5-Dihydroxyoxan-3-Yl]Oxy-4,5-Dihydroxy-3-Methoxyoxane-2-Carboxylic Acid
[CAS# 136366-18-2]

Identification

• Name: 6-[2-[4-[4,5-Dihydroxy-3-(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxyoxan-2-Yl]Oxy-5,6-Dihydroxyoxan-3-Yl]Oxy-4,5-Dihydroxyoxan-3-Yl]Oxy-4,5-Dihydroxy-3-Methoxyoxane-2-Carboxylic Acid
• Synonyms: 6-[2-[4-[4,5-Dihydroxy-3-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl]Oxy-5,6-Dihydroxy-Tetrahydropyran-3-Yl]Oxy-4,5-Dihydroxy-Tetrahydropyran-3-Yl]Oxy-4,5-Dihydroxy-3-Methoxy-Tetrahydropyran-2-Carboxylic Acid; 6-[[2-[[4-[[4,5-Dihydroxy-3-[(3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-2-Tetrahydropyranyl]Oxy]-5,6-Dihydroxy-3-Tetrahydropyranyl]Oxy]-4,5-Dihydroxy-3-Tetrahydropyranyl]Oxy]-4,5-Dihydroxy-3-Methoxy-2-Tetrahydropyrancarboxylic Acid; 6-[2-[4-[4,5-Dihydroxy-3-(3,4,5-Trihydroxy-6-Methyl-Oxan-2-Yl)Oxy-Oxan-2-Yl]Oxy-5,6-Dihydroxy-Oxan-3-Yl]Oxy-4,5-Dihydroxy-Oxan-3-Yl]Oxy-4,5-Dihydroxy-3-Methoxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₂₈H₄₆O₂₃
• Molecular Weight: 750.66
• CAS Registry Number: 136366-18-2
• SMILES: COC5C(OC(OC4C(OC1COC(C(C1OC2OCC(C(C2OC3OC(C)C(C(C3O)O)O)O)O)O)O)OCC(C4O)O)C(C5O)O)C(=O)O
• InChI: 1S/C28H46O23/c1-6-10(31)13(34)15(36)25(46-6)49-21-12(33)8(30)4-45-28(21)48-18-9(5-43-24(41)17(18)38)47-27-20(11(32)7(29)3-44-27)50-26-16(37)14(35)19(42-2)22(51-26)23(39)40/h6-22,24-38,41H,3-5H2,1-2H3,(H,39,40)
• InChIKey: DZWSEVGKERHGEZ-UHFFFAOYSA-N

Properties

• Density: 1.748g/cm³ (Cal.)
• Boiling point: 1043.227°C at 760 mmHg (Cal.)
• Flash point: 329.951°C (Cal.)