ChemSpider 2D Image | 2-Hydroxy-5-(3-oxobutyl)phenyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C25H28O11

2-Hydroxy-5-(3-oxobutyl)phenyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC25H28O11
  • Average mass504.483 Da
  • Monoisotopic mass504.163147 Da
  • ChemSpider ID9115323

  • 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

2-Butanone, 4-[3-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-4-hydroxyphenyl]- [ACD/Index Name]
2-Hydroxy-5-(3-oxobutyl)phenyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-Hydroxy-5-(3-oxobutyl)phenyl-6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2E)-3-(3,4-Dihydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de 2-hydroxy-5-(3-oxobutyl)phényle [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: 799.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 270.3±26.4 °C
Index of Refraction: 1.662
Molar Refractivity: 126.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.78
ACD/KOC (pH 5.5): 52.49
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.72
ACD/KOC (pH 7.4): 50.88
Polar Surface Area: 183 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 342.6±3.0 cm3

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