[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl] 3,4,5-Trihydroxybenzoate
[CAS# 554-37-0]

Identification

• Name: [(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl] 3,4,5-Trihydroxybenzoate
• Synonyms: [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl] 3,4,5-Trihydroxybenzoate; 3,4,5-Trihydroxybenzoic Acid [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl] Ester; 3,4,5-Trihydroxybenzoic Acid [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl] Ester
• Molecular Formula: C₁₃H₁₆O₁₀
• Molecular Weight: 332.26
• CAS Registry Number: 554-37-0
• SMILES: [C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC(C2=CC(=C(O)C(=C2)O)O)=O
• InChI: 1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1
• InChIKey: GDVRUDXLQBVIKP-HQHREHCSSA-N

Properties

• Density: 1.9±0.1g/cm³ (Cal.)
• Boiling point: 736.4±60.0°C at 760 mmHg (Cal.)
• Flash point: 278.9±26.4°C (Cal.)