chempirical

Phlorizin

C21H24O10CAS 60-81-1436.41 g/mol

Open in Covalent MOL file
OOHHOOHOOOHOHOHHO
AcetalAlcoholEtherKetonePhenol

Properties

Molecular formula
C21H24O10
Molar mass
436.41 g/mol
Exact mass
436.1369 Da
Density
1.45 g/mL
Melting point
110 °C
logP
-0.20Crippen estimate
Polar surface area
177.1 Ų
H-bond donors / acceptors
7 / 10
Rotatable bonds
7
Stereocentres
S, R, S, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
60-81-1
SMILES
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
IOUVKUPGCMBWBT-QNDFHXLGSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

16 names · show all
  • 1-Propanone, 1-[2-(β-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-
  • 1-[2-(β-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone
  • Phlorhizin
  • Phloridzin
  • Phlorizoside
  • Phlorrhizin
  • Phlorizine
  • Floridzin
  • Phloretin 2′-glucoside
  • Phloridzosid
  • NSC 2833
  • Phloretin 2′-O-glucoside
  • Phloretin 2′-O-β-D-glucopyranoside
  • Phloretin 2′-β-D-glucoside
  • Dihydrochalcone 2′-β-D-glucopyranoside
  • Phloretin glucoside

Work with Phlorizin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Phlorizin dihydrate7061-54-3Hydrate

Similar compounds

Naringin dihydrochalcone18916-17-163 % similar Emodin 8-O-β-D-glucopyranoside23313-21-556 % similar Emodin 1-O-beta-D-glucoside38840-23-256 % similar Phloretin60-82-255 % similar Neohesperidin dihydrochalcone20702-77-653 % similar Salidroside10338-51-951 % similar Raspberry ketone β-D-glucoside38963-94-951 % similar Phaseoloidin118555-82-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Trilobatin4192-90-9

Elsewhere

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