4-[6-(1,2-Dihydroxyethyl)-3,4,5-trihydroxy-oxan-2-yl]oxy-2,3,5-trihydroxy-7,8-dioxo-octanoic acid
[CAS# 101769-91-9]

Identification

• Name: 4-[6-(1,2-Dihydroxyethyl)-3,4,5-trihydroxy-oxan-2-yl]oxy-2,3,5-trihydroxy-7,8-dioxo-octanoic acid
• Synonyms: 4-[6-(1,2-Dihydroxyethyl)-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-2,3,5-Trihydroxy-7,8-Dioxo-Octanoic Acid; 4-[[6-(1,2-Dihydroxyethyl)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-2,3,5-Trihydroxy-7,8-Dioxooctanoic Acid; 4-[6-(1,2-Dihydroxyethyl)-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-2,3,5-Trihydroxy-7,8-Diketo-Caprylic Acid
• Molecular Formula: C₁₅H₂₄O₁₄
• Molecular Weight: 428.35
• CAS Registry Number: 101769-91-9
• SMILES: C(C(C1C(C(C(C(O1)OC(C(O)CC(=O)C=O)C(O)C(C(=O)O)O)O)O)O)O)O
• InChI: 1S/C15H24O14/c16-2-4(18)1-5(19)12(9(23)10(24)14(26)27)28-15-11(25)7(21)8(22)13(29-15)6(20)3-17/h2,5-13,15,17,19-25H,1,3H2,(H,26,27)
• InChIKey: NLPZLDGWKNBZLH-UHFFFAOYSA-N

Properties

• Density: 1.763g/cm³ (Cal.)
• Boiling point: 897.296°C at 760 mmHg (Cal.)
• Flash point: 319.918°C (Cal.)