3,4-Dihydroxy-6-[4-Hydroxy-2-(Hydroxymethyl)-5-(Sulfooxymethyl)Oxolan-3-Yl]Oxy-5-Sulfooxyoxane-2-Carboxylic Acid
[CAS# 102304-70-1]

Identification

• Name: 3,4-Dihydroxy-6-[4-Hydroxy-2-(Hydroxymethyl)-5-(Sulfooxymethyl)Oxolan-3-Yl]Oxy-5-Sulfooxyoxane-2-Carboxylic Acid
• Synonyms: 3,4-Dihydroxy-6-[4-Hydroxy-2-(Hydroxymethyl)-5-(Sulfooxymethyl)Tetrahydrofuran-3-Yl]Oxy-5-Sulfooxy-Tetrahydropyran-2-Carboxylic Acid; 3,4-Dihydroxy-6-[[4-Hydroxy-2-(Hydroxymethyl)-5-(Sulfooxymethyl)-3-Tetrahydrofuranyl]Oxy]-5-Sulfooxy-2-Tetrahydropyrancarboxylic Acid; 3,4-Dihydroxy-6-[4-Hydroxy-2-Methylol-5-(Sulfoxymethyl)Tetrahydrofuran-3-Yl]Oxy-5-Sulfoxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₂H₂₀O₁₇S₂
• Molecular Weight: 500.40
• CAS Registry Number: 102304-70-1
• SMILES: C(C2C(OC1C(O[S](=O)(=O)O)C(C(C(O1)C(=O)O)O)O)C(C(O2)CO[S](=O)(=O)O)O)O
• InChI: 1S/C12H20O17S2/c13-1-3-8(5(14)4(26-3)2-25-30(19,20)21)27-12-10(29-31(22,23)24)7(16)6(15)9(28-12)11(17)18/h3-10,12-16H,1-2H2,(H,17,18)(H,19,20,21)(H,22,23,24)
• InChIKey: JQPJHYYDROIJCS-UHFFFAOYSA-N

Properties

• Density: 2.061g/cm³ (Cal.)