ChemSpider 2D Image | 4-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-2,3-dihydroxyphenyl 4,6-di-O-acetyl-beta-D-threo-hexopyranoside | C25H26O13

4-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-2,3-dihydroxyphenyl 4,6-di-O-acetyl-β-D-threo-hexopyranoside

  • Molecular FormulaC25H26O13
  • Average mass534.466 Da
  • Monoisotopic mass534.137329 Da
  • ChemSpider ID24845937

  • 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-[4-[(4,6-di-O-acetyl-β-D-threo-hexopyranosyl)oxy]-2,3-dihydroxyphenyl]-3-(3,4-dihydroxyphenyl)-, (2E)- [ACD/Index Name]
4,6-Di-O-acétyl-β-D-thréo-hexopyranoside de 4-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-2,3-dihydroxyphényle [French] [ACD/IUPAC Name]
4-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-2,3-dihydroxyphenyl 4,6-di-O-acetyl-β-D-threo-hexopyranoside [ACD/IUPAC Name]
4-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-2,3-dihydroxyphenyl-4,6-di-O-acetyl-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 800.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 269.3±27.8 °C
Index of Refraction: 1.674
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.48
ACD/KOC (pH 5.5): 83.95
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.02
Polar Surface Area: 210 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 90.8±5.0 dyne/cm
Molar Volume: 335.7±5.0 cm3

Click to predict properties on the Chemicalize site


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