ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)ethyl 4-O-[3-(3,4-dihydroxyphenyl)acryloyl]-3-O-hexopyranosylhexopyranoside | C29H36O16

2-(3,4-Dihydroxyphenyl)ethyl 4-O-[3-(3,4-dihydroxyphenyl)acryloyl]-3-O-hexopyranosylhexopyranoside

  • Molecular FormulaC29H36O16
  • Average mass640.586 Da
  • Monoisotopic mass640.200317 Da
  • ChemSpider ID3682428

More details:

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

2-(3,4-Dihydroxyphenyl)ethyl 4-O-[3-(3,4-dihydroxyphenyl)acryloyl]-3-O-hexopyranosylhexopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)ethyl-4-O-[3-(3,4-dihydroxyphenyl)acryloyl]-3-O-hexopyranosylhexopyranosid [German] [ACD/IUPAC Name]
4-O-[3-(3,4-Dihydroxyphényl)acryloyl]-3-O-hexopyranosylhexopyranoside de 2-(3,4-dihydroxyphényl)éthyle [French] [ACD/IUPAC Name]
Hexopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 4-O-[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-3-O-hexopyranosyl- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 953.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.3±3.0 kJ/mol
Flash Point: 308.5±27.8 °C
Index of Refraction: 1.705
Molar Refractivity: 149.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.11
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.52
Polar Surface Area: 266 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 105.6±5.0 dyne/cm
Molar Volume: 385.8±5.0 cm3

Click to predict properties on the Chemicalize site


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