Methyl 4-Hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxybenzoate
[CAS# 155112-92-8]

Identification

• Name: Methyl 4-Hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxybenzoate
• Synonyms: Methyl 4-Hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Benzoate; 4-Hydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Benzoic Acid Methyl Ester; 4-Hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Benzoic Acid Methyl Ester
• Molecular Formula: C₁₄H₁₈O₉
• Molecular Weight: 330.29
• CAS Registry Number: 155112-92-8
• SMILES: [C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC2=C(C=CC(=C2)C(=O)OC)O
• InChI: 1S/C14H18O9/c1-21-13(20)6-2-3-7(16)8(4-6)22-14-12(19)11(18)10(17)9(5-15)23-14/h2-4,9-12,14-19H,5H2,1H3/t9-,10-,11+,12-,14-/m1/s1
• InChIKey: PXDASGXIBCEXNH-YGEZULPYSA-N

Properties

• Density: 1.552g/cm³ (Cal.)
• Boiling point: 595.872°C at 760 mmHg (Cal.)
• Flash point: 223.533°C (Cal.)