ChemSpider 2D Image | 3-[7-Hydroxy-8-(2-hydroxy-2-propanyl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,5a,6,7,8,9,9a,10-octahydro-1H-furo[3,4-b]xanthen-9-yl]propanoic acid | C25H34O8

3-[7-Hydroxy-8-(2-hydroxy-2-propanyl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,5a,6,7,8,9,9a,10-octahydro-1H-furo[3,4-b]xanthen-9-yl]propanoic acid

  • Molecular FormulaC25H34O8
  • Average mass462.533 Da
  • Monoisotopic mass462.225372 Da
  • ChemSpider ID22369753

More details:

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

1H-Furo[3,4-b]xanthene-9-propanoic acid, 3,5a,6,7,8,9,9a,10-octahydro-7-hydroxy-8-(1-hydroxy-1-methylethyl)-11-methoxy-4,5a,9-trimethyl-1-oxo- [ACD/Index Name]
3-[7-Hydroxy-8-(2-hydroxy-2-propanyl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,5a,6,7,8,9,9a,10-octahydro-1H-furo[3,4-b]xanthen-9-yl]propanoic acid [ACD/IUPAC Name]
3-[7-Hydroxy-8-(2-hydroxy-2-propanyl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,5a,6,7,8,9,9a,10-octahydro-1H-furo[3,4-b]xanthen-9-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[7-hydroxy-8-(2-hydroxy-2-propanyl)-11-méthoxy-4,5a,9-triméthyl-1-oxo-3,5a,6,7,8,9,9a,10-octahydro-1H-furo[3,4-b]xanthén-9-yl]propanoïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 705.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 238.4±26.4 °C
Index of Refraction: 1.569
Molar Refractivity: 118.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 18.12
ACD/KOC (pH 5.5): 157.51
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.49
Polar Surface Area: 123 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 362.3±3.0 cm3

Click to predict properties on the Chemicalize site


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