ChemSpider 2D Image | 3-Hydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-5-methoxyphenyl beta-D-glucopyranoside | C22H24O10

3-Hydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-5-methoxyphenyl β-D-glucopyranoside

  • Molecular FormulaC22H24O10
  • Average mass448.420 Da
  • Monoisotopic mass448.136932 Da
  • ChemSpider ID24707352

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-1-[2-(β-D-Glucopyranosyloxy)-6-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
2-Propen-1-one, 1-[2-(β-D-glucopyranosyloxy)-6-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)-, (2E)- [ACD/Index Name]
31187-54-9 [RN]
3-Hydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-5-methoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
3-Hydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-5-methoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 3-hydroxy-2-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-5-méthoxyphényle [French] [ACD/IUPAC Name]
2-PROPEN-1-ONE, 1-[2-(B-D-GLUCOPYRANOSYLOXY)-6-HYDROXY-4-METHOXYPHENYL]-3-(4-HYDROXYPHENYL)-,(2E)-
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL495848/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 794.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 277.2±26.4 °C
Index of Refraction: 1.686
Molar Refractivity: 113.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.17
ACD/KOC (pH 5.5): 59.66
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.62
Polar Surface Area: 166 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 72.1±3.0 dyne/cm
Molar Volume: 297.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement