(2S,3R,4S,5S,6R)-2-[3-Hydroxy-5-[(E)-2-(4-Hydroxy-3-Methoxyphenyl)Ethenyl]Phenoxy]-6-(Hydroxymethyl)Oxane-3,4,5-Triol
[CAS# 32727-29-0]

Identification

• Name: (2S,3R,4S,5S,6R)-2-[3-Hydroxy-5-[(E)-2-(4-Hydroxy-3-Methoxyphenyl)Ethenyl]Phenoxy]-6-(Hydroxymethyl)Oxane-3,4,5-Triol
• Synonyms: (2S,3R,4S,5S,6R)-2-[3-Hydroxy-5-[(E)-2-(4-Hydroxy-3-Methoxy-Phenyl)Vinyl]Phenoxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[3-Hydroxy-5-[(E)-2-(4-Hydroxy-3-Methoxyphenyl)Vinyl]Phenoxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[3-Hydroxy-5-[(E)-2-(4-Hydroxy-3-Methoxy-Phenyl)Vinyl]Phenoxy]-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₂₁H₂₄O₉
• Molecular Weight: 420.42
• CAS Registry Number: 32727-29-0
• SMILES: [C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC2=CC(=CC(=C2)O)/C=C/C3=CC(=C(C=C3)O)OC
• InChI: 1S/C21H24O9/c1-28-16-8-11(4-5-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
• InChIKey: KLPUXMNQDCUPNO-DXKBKAGUSA-N

Properties

• Density: 1.498g/cm³ (Cal.)
• Boiling point: 721.146°C at 760 mmHg (Cal.)
• Flash point: 389.935°C (Cal.)