[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl] 3,4-Dihydroxybenzoate
[CAS# 143986-30-5]

Identification

• Name: [(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl] 3,4-Dihydroxybenzoate
• Synonyms: [(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl] 3,4-Dihydroxybenzoate; 3,4-Dihydroxybenzoic Acid [(2S,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl] Ester; 3,4-Dihydroxybenzoic Acid [(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl] Ester
• Molecular Formula: C₁₂H₁₄O₈
• Molecular Weight: 286.24
• CAS Registry Number: 143986-30-5
• SMILES: [C@@H]2(OC(=O)C1=CC=C(O)C(=C1)O)OC[C@@H](O)[C@H](O)[C@H]2O
• InChI: 1S/C12H14O8/c13-6-2-1-5(3-7(6)14)11(18)20-12-10(17)9(16)8(15)4-19-12/h1-3,8-10,12-17H,4H2/t8-,9+,10-,12+/m1/s1
• InChIKey: VWQASRWQZBVNEI-KLBPJQLPSA-N

Properties

• Density: 1.7g/cm³ (Cal.)
• Boiling point: 595.422°C at 760 mmHg (Cal.)
• Flash point: 232.07°C (Cal.)