ChemSpider 2D Image | 4-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-2,3-dihydroxyphenyl 3,4,6-tri-O-acetyl-beta-D-glucopyranoside | C27H28O14

4-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-2,3-dihydroxyphenyl 3,4,6-tri-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC27H28O14
  • Average mass576.503 Da
  • Monoisotopic mass576.147888 Da
  • ChemSpider ID23339380

  • 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-Propen-1-one, 3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[(3,4,6-tri-O-acetyl-β-D-glucopyranosyl)oxy]phenyl]-, (2E)- [ACD/Index Name]
3,4,6-Tri-O-acétyl-β-D-glucopyranoside 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 3,4,6-tri-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
4-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-2,3-dihydroxyphenyl-3,4,6-tri-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(2R,3R,4R,5R,6S)-2-(acetoxymethyl)-6-(4-((E)-3-(3,4-dihydroxyphenyl)acryloyl)-2,3-dihydroxyphenoxy)-5-hydroxytetrahydro-2H-pyran-3,4-diyl diacetate
4-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxyphenyl 3,4,6-tri-O-acetyl-β-D-glucopyranoside

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

Density: 1.5±0.1 g/cm3
Boiling Point: 808.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 266.5±27.8 °C
Index of Refraction: 1.646
Molar Refractivity: 135.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.15
ACD/KOC (pH 5.5): 193.29
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 2.68
ACD/KOC (pH 7.4): 46.51
Polar Surface Area: 216 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 82.5±5.0 dyne/cm
Molar Volume: 373.3±5.0 cm3

Click to predict properties on the Chemicalize site


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