ChemSpider 2D Image | cauferoside | C30H40O10

cauferoside

  • Molecular FormulaC30H40O10
  • Average mass560.633 Da
  • Monoisotopic mass560.262146 Da
  • ChemSpider ID26389948

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,4R,4aS,7R,8aS)-7-Hydroxy-4a,8,8-trimethyl-3-methylen-4-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}decahydro-1-naphthalinyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(1R,4R,4aS,7R,8aS)-7-Hydroxy-4a,8,8-trimethyl-3-methylene-4-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}decahydro-1-naphthalenyl β-D-glucopyranoside [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 7-[[(1R,4R,4aS,6R,8aS)-4-(β-D-glucopyranosyloxy)decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]- [ACD/Index Name]
cauferoside
β-D-Glucopyranoside de (1R,4R,4aS,7R,8aS)-7-hydroxy-4a,8,8-triméthyl-3-méthylène-4-{[(2-oxo-2H-chromén-7-yl)oxy]méthyl}décahydro-1-naphtalényle [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: 751.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 242.9±26.4 °C
Index of Refraction: 1.625
Molar Refractivity: 143.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 14.90
ACD/KOC (pH 5.5): 240.64
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.90
ACD/KOC (pH 7.4): 240.64
Polar Surface Area: 155 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 406.8±5.0 cm3

Click to predict properties on the Chemicalize site


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