ChemSpider 2D Image | 2-[3-(1-Benzofuran-5-yl)propanoyl]-3-hydroxyphenyl 6-O-(ethoxycarbonyl)-beta-D-glucopyranoside | C26H28O11

2-[3-(1-Benzofuran-5-yl)propanoyl]-3-hydroxyphenyl 6-O-(ethoxycarbonyl)-β-D-glucopyranoside

  • Molecular FormulaC26H28O11
  • Average mass516.494 Da
  • Monoisotopic mass516.163147 Da
  • ChemSpider ID9014886

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Propanone, 3-(5-benzofuranyl)-1-[2-[[6-O-(ethoxycarbonyl)-β-D-glucopyranosyl]oxy]-6-hydroxyphenyl]- [ACD/Index Name]
2-[3-(1-Benzofuran-5-yl)propanoyl]-3-hydroxyphenyl 6-O-(ethoxycarbonyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-[3-(1-Benzofuran-5-yl)propanoyl]-3-hydroxyphenyl-6-O-(ethoxycarbonyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(Éthoxycarbonyl)-β-D-glucopyranoside de 2-[3-(1-benzofuran-5-yl)propanoyl]-3-hydroxyphényle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 722.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 391.0±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 129.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 120.08
ACD/KOC (pH 5.5): 1067.86
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 59.99
ACD/KOC (pH 7.4): 533.43
Polar Surface Area: 165 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 362.5±3.0 cm3

Click to predict properties on the Chemicalize site


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