ChemSpider 2D Image | 2-[3-(1-Benzofuran-5-yl)propanoyl]-3-hydroxy-5-methylphenyl 6-O-(ethoxycarbonyl)-beta-D-glucopyranoside | C27H30O11

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

  • Molecular FormulaC27H30O11
  • Average mass530.521 Da
  • Monoisotopic mass530.178833 Da
  • ChemSpider ID8729601

  • 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-hydroxy-4-methylphenyl]- [ACD/Index Name]
2-[3-(1-Benzofuran-5-yl)propanoyl]-3-hydroxy-5-methylphenyl 6-O-(ethoxycarbonyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-[3-(1-Benzofuran-5-yl)propanoyl]-3-hydroxy-5-methylphenyl-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-hydroxy-5-méthylphényle [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: 737.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 399.9±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 133.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.67
ACD/KOC (pH 5.5): 1613.93
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 115.00
ACD/KOC (pH 7.4): 868.61
Polar Surface Area: 165 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 378.7±3.0 cm3

Click to predict properties on the Chemicalize site


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