Found 12 results

Search term: MF = 'C_{29}H_{30}O_{12}'
ChemSpider 2D Image | 2-[3-(1-Benzofuran-5-yl)propanoyl]-3-[(2,3-di-O-acetyl-beta-D-glucopyranosyl)oxy]phenyl acetate | C29H30O12

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

  • Molecular FormulaC29H30O12
  • Average mass570.541 Da
  • Monoisotopic mass570.173706 Da
  • ChemSpider ID8069944

  • 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]phenyl]-3-(5-benzofuranyl)- [ACD/Index Name]
2-[3-(1-Benzofuran-5-yl)propanoyl]-3-[(2,3-di-O-acetyl-β-D-glucopyranosyl)oxy]phenyl acetate [ACD/IUPAC Name]
2-[3-(1-Benzofuran-5-yl)propanoyl]-3-[(2,3-di-O-acetyl-β-D-glucopyranosyl)oxy]phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 2-[3-(1-benzofuran-5-yl)propanoyl]-3-[(2,3-di-O-acétyl-β-D-glucopyranosyl)oxy]phényle [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: 741.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 401.9±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 141.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.35
ACD/KOC (pH 5.5): 615.68
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.35
ACD/KOC (pH 7.4): 615.68
Polar Surface Area: 168 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 404.8±5.0 cm3

Click to predict properties on the Chemicalize site


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