ChemSpider 2D Image | 2-[3-(1-Benzofuran-5-yl)propanoyl]-3-[(2,3-di-O-acetyl-beta-D-glucopyranosyl)oxy]-5-methylphenyl acetate | C30H32O12

2-[3-(1-Benzofuran-5-yl)propanoyl]-3-[(2,3-di-O-acetyl-β-D-glucopyranosyl)oxy]-5-methylphenyl acetate

  • Molecular FormulaC30H32O12
  • Average mass584.568 Da
  • Monoisotopic mass584.189392 Da
  • ChemSpider ID9016347

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Propanone, 1-[2-(acetyloxy)-6-[(2,3-di-O-acetyl-β-D-glucopyranosyl)oxy]-4-methylphenyl]-3-(5-benzofuranyl)- [ACD/Index Name]
2-[3-(1-Benzofuran-5-yl)propanoyl]-3-[(2,3-di-O-acetyl-β-D-glucopyranosyl)oxy]-5-methylphenyl acetate [ACD/IUPAC Name]
2-[3-(1-Benzofuran-5-yl)propanoyl]-3-[(2,3-di-O-acetyl-β-D-glucopyranosyl)oxy]-5-methylphenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 2-[3-(1-benzofuran-5-yl)propanoyl]-3-[(2,3-di-O-acétyl-β-D-glucopyranosyl)oxy]-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: 749.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 407.3±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 145.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.50
ACD/KOC (pH 5.5): 950.27
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.50
ACD/KOC (pH 7.4): 950.26
Polar Surface Area: 168 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 420.4±5.0 cm3

Click to predict properties on the Chemicalize site


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