Populin
[CAS# 99-17-2]

Identification

• Name: Populin
• Synonyms: [(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-(Hydroxymethyl)Phenoxy]Tetrahydropyran-2-Yl]Methyl Benzoate; Benzoic Acid [(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-(Hydroxymethyl)Phenoxy]-2-Tetrahydropyranyl]Methyl Ester; Benzoic Acid [(2R,3S,4S,5R,6S)-3,4,5-Trihydro
• Molecular Formula: C₂₀H₂₂O₈
• Molecular Weight: 390.39
• CAS Registry Number: 99-17-2
• EINECS: 202-737-5
• SMILES: [C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)O)O)OC3=C(CO)C=CC=C3
• InChI: 1S/C20H22O8/c21-10-13-8-4-5-9-14(13)27-20-18(24)17(23)16(22)15(28-20)11-26-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2/t15-,16-,17+,18-,20-/m1/s1
• InChIKey: HHSKNLJWHGXWPK-BFMVXSJESA-N

Properties

• Density: 1.419g/cm³ (Cal.)
• Boiling point: 612.171°C at 760 mmHg (Cal.)
• Flash point: 217.179°C (Cal.)