Phlorizin

• Catalog Number: ACM60811
• Product Name: Phlorizin
• CAS: 60-81-1
• Category: Material of cosmetics
• Synonyms: Phlorizoside
• IUPAC Name: 1-[2,4-Dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
• Molecular Weight: 436.41
• Molecular Formula: C21H24O10
• Canonical SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O
• InChI: InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
• InChI Key: IOUVKUPGCMBWBT-QNDFHXLGSA-N
• Boiling Point: 468.89 °C
• Melting Point: 113-114 °C(lit.)
• Flash Point: 270.7 °C
• Density: 1.3178 g/cm³
• Appearance: Solid
• Storage: Keep in dark place, sealed in dry, room temperature
• Complexity: 581
• Exact Mass: 436.13694696
• Isomeric SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
• Monoisotopic Mass: 436.13694696
• pKa: 7.15±0.40(Predicted)
• Plant Origin: Branches and leaves from apple
• Topological Polar Surface Area: 177 Ų