Phlorizin

• CAS: 60-81-1
• Catalog Number: ACM60811
• Category: Material of Cosmetics
• Molecular Weight: 436.41
• Molecular Formula: C21H24O10
• 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
• 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

Custom Q&A

What is the molecular formula of Phlorizin?

The molecular formula of Phlorizin is C21H24O10.

When was Phlorizin created according to the reference?

Phlorizin was created on June 8, 2005.

What is the molecular weight of Phlorizin?

The molecular weight of Phlorizin is 436.4 g/mol.

What is the InChIKey of Phlorizin?

The InChIKey of Phlorizin is IOUVKUPGCMBWBT-QNDFHXLGSA-N.

Where is Phlorizin commonly found in nature?

Phlorizin is a natural product found in Malus doumeri, Vaccinium macrocarpon, and other organisms.

What is the Canonical SMILES representation of Phlorizin?

The Canonical SMILES representation of Phlorizin is C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O.

What is the XLogP3 value of Phlorizin?

The XLogP3 value of Phlorizin is 1.2.

How many hydrogen bond donor counts does Phlorizin have?

Phlorizin has 7 hydrogen bond donor counts.

What is the exact mass of Phlorizin?

The exact mass of Phlorizin is 436.13694696 g/mol.

What is the topological polar surface area of Phlorizin?

The topological polar surface area of Phlorizin is 177 Å2.