3,4,5-Trihydroxy-6-[5-Hydroxy-6-(Hydroxymethyl)-2-Methoxy-4-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-3-Yl]Oxyoxane-2-Carboxylic Acid
[CAS# 125365-17-5]

Identification

• Name: 3,4,5-Trihydroxy-6-[5-Hydroxy-6-(Hydroxymethyl)-2-Methoxy-4-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-3-Yl]Oxyoxane-2-Carboxylic Acid
• Synonyms: 3,4,5-Trihydroxy-6-[5-Hydroxy-6-(Hydroxymethyl)-2-Methoxy-4-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Oxy-Tetrahydropyran-2-Carboxylic Acid; 3,4,5-Trihydroxy-6-[[5-Hydroxy-6-(Hydroxymethyl)-2-Methoxy-4-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-Tetrahydropyranyl]Oxy]-2-Tetrahydropyrancarboxylic Acid; 3,4,5-Trihydroxy-6-[5-Hydroxy-2-Methoxy-6-Methylol-4-(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-3-Yl]Oxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₉H₃₂O₁₇
• Molecular Weight: 532.45
• CAS Registry Number: 125365-17-5
• SMILES: C(C3C(C(C(C(OC1C(C(OC(C1OC2C(C(C(C(O2)C(O)=O)O)O)O)OC)CO)O)O3)O)O)O)O
• InChI: 1S/C19H32O17/c1-31-19-15(36-18-12(28)9(25)10(26)14(35-18)16(29)30)13(7(23)5(3-21)33-19)34-17-11(27)8(24)6(22)4(2-20)32-17/h4-15,17-28H,2-3H2,1H3,(H,29,30)
• InChIKey: LOWQBZMGQPXYKM-UHFFFAOYSA-N

Properties

• Density: 1.773g/cm³ (Cal.)
• Boiling point: 886.998°C at 760 mmHg (Cal.)
• Flash point: 303.768°C (Cal.)