ChemSpider 2D Image | 2-[3-(1-Benzofuran-5-yl)propanoyl]-3-hydroxy-5-methylphenyl 4,6-O-(1-methoxyethylidene)-beta-D-glucopyranoside | C27H30O10

2-[3-(1-Benzofuran-5-yl)propanoyl]-3-hydroxy-5-methylphenyl 4,6-O-(1-methoxyethylidene)-β-D-glucopyranoside

  • Molecular FormulaC27H30O10
  • Average mass514.521 Da
  • Monoisotopic mass514.183899 Da
  • ChemSpider ID8729239

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1-Propanone, 3-(5-benzofuranyl)-1-[2-hydroxy-6-[[4,6-O-(1-methoxyethylidene)-β-D-glucopyranosyl]oxy]-4-methylphenyl]- [ACD/Index Name]
2-[3-(1-Benzofuran-5-yl)propanoyl]-3-hydroxy-5-methylphenyl 4,6-O-(1-methoxyethylidene)-β-D-glucopyranoside [ACD/IUPAC Name]
2-[3-(1-Benzofuran-5-yl)propanoyl]-3-hydroxy-5-methylphenyl-4,6-O-(1-methoxyethyliden)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4,6-O-(1-Méthoxyéthylidène)-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: 724.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 392.1±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 971.82
ACD/KOC (pH 5.5): 4771.52
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 506.28
ACD/KOC (pH 7.4): 2485.79
Polar Surface Area: 137 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 360.7±5.0 cm3

Click to predict properties on the Chemicalize site


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