[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-2-[(1R,2S)-2-Hydroxycyclohexyl]Oxy-6-(Hydroxymethyl)Oxan-3-Yl] 3-(4-Hydroxyphenyl)Prop-2-Enoate
[CAS 15732-48-6]

Identification

• Name: [(2R,3R,4S,5R,6R)-4,5-Dihydroxy-2-[(1R,2S)-2-Hydroxycyclohexyl]Oxy-6-(Hydroxymethyl)Oxan-3-Yl] 3-(4-Hydroxyphenyl)Prop-2-Enoate
• Synonyms: [(2R,3R,4S,5S,6R)-4,5-Dihydroxy-2-[(1R,2S)-2-Hydroxycyclohexoxy]-6-(Hydroxymethyl)Tetrahydropyran-3-Yl] (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate; (E)-3-(4-Hydroxyphenyl)Prop-2-Enoic Acid [(2R,3R,4S,5S,6R)-4,5-Dihydroxy-2-[(1R,2S)-2-Hydroxycyclohexoxy]-6-(Hydroxymethyl)-3-Tetrahydropyranyl] Ester; (E)-3-(4-Hydroxyphenyl)Acrylic Acid [(2R,3R,4S,5S,6R)-4,5-Dihydroxy-2-[(1R,2S)-2-Hydroxycyclohexoxy]-6-Methylol-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₂₁H₂₈O₉
• Molecular Weight: 424.45
• CAS Registry Number: 15732-48-6
• SMILES: [C@@H]1([C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)O[C@H]2[C@@H](O)CCCC2)OC(/C=C/C3=CC=C(C=C3)O)=O
• InChI: 1S/C21H28O9/c22-11-16-18(26)19(27)20(21(29-16)28-15-4-2-1-3-14(15)24)30-17(25)10-7-12-5-8-13(23)9-6-12/h5-10,14-16,18-24,26-27H,1-4,11H2/b10-7+/t14-,15+,16+,18+,19-,20+,21+/m0/s1
• InChIKey: ZTMPDTJBTNGZJH-QMZLQNRASA-N

Properties

• Density: 1.43g/cm³ (Cal.)
• Boiling point: 671.003°C at 760 mmHg (Cal.)
• Flash point: 233.648°C (Cal.)