ChemSpider 2D Image | 4-(D-erythro-Hexopyranosyloxy)-3-hydroxy-2-methylenebutyl (2E)-3-(3,4-dihydroxyphenyl)acrylate | C20H26O11

4-(D-erythro-Hexopyranosyloxy)-3-hydroxy-2-methylenebutyl (2E)-3-(3,4-dihydroxyphenyl)acrylate

  • Molecular FormulaC20H26O11
  • Average mass442.414 Da
  • Monoisotopic mass442.147522 Da
  • ChemSpider ID28282665

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 6 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-3-(3,4-Dihydroxyphényl)acrylate de 4-(D-érythro-hexopyranosyloxy)-3-hydroxy-2-méthylènebutyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 4-(D-erythro-hexopyranosyloxy)-3-hydroxy-2-methylenebutyl ester, (2E)- [ACD/Index Name]
4-(D-erythro-Hexopyranosyloxy)-3-hydroxy-2-methylenbutyl-(2E)-3-(3,4-dihydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
4-(D-erythro-Hexopyranosyloxy)-3-hydroxy-2-methylenebutyl (2E)-3-(3,4-dihydroxyphenyl)acrylate [ACD/IUPAC Name]
PUBESCENOSIDE A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 791.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.7±3.0 kJ/mol
Flash Point: 276.9±26.4 °C
Index of Refraction: 1.649
Molar Refractivity: 104.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.93
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.39
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.29
Polar Surface Area: 186 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 86.0±5.0 dyne/cm
Molar Volume: 288.2±5.0 cm3

Click to predict properties on the Chemicalize site


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