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

3-Hydroxy-2-[(2E)-3-(2-hydroxyphenyl)-2-propenoyl]-5-methoxyphenyl β-D-threo-hexopyranoside

  • Molecular FormulaC22H24O10
  • Average mass448.420 Da
  • Monoisotopic mass448.136932 Da
  • ChemSpider ID24845949

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

More details:

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

2-Propen-1-one, 1-[2-(β-D-threo-hexopyranosyloxy)-6-hydroxy-4-methoxyphenyl]-3-(2-hydroxyphenyl)-, (2E)- [ACD/Index Name]
3-Hydroxy-2-[(2E)-3-(2-hydroxyphenyl)-2-propenoyl]-5-methoxyphenyl β-D-threo-hexopyranoside [ACD/IUPAC Name]
3-Hydroxy-2-[(2E)-3-(2-hydroxyphenyl)-2-propenoyl]-5-methoxyphenyl-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
β-D-thréo-Hexopyranoside de 3-hydroxy-2-[(2E)-3-(2-hydroxyphényl)-2-propenoyl]-5-méthoxyphényle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 795.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 277.7±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: 1.63
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 3.09
ACD/KOC (pH 5.5): 76.61
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.63
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


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