ChemSpider 2D Image | austalide P | C26H36O7

austalide P

  • Molecular FormulaC26H36O7
  • Average mass460.560 Da
  • Monoisotopic mass460.246094 Da
  • ChemSpider ID28185035

  • defined stereocentres - 4 of 4 defined stereocentres

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-8-(1-hydroxy-1-methylethyl)-11-methoxy-4,5a,9-trimethyl-1-oxo-, methyl ester, (5aS,8R,9S,9aR)- [ACD/Index Name]
3-[(5aS,8R,9S,9aR)-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]propanoate de méthyle [French] [ACD/IUPAC Name]
austalide P
Methyl 3-[(5aS,8R,9S,9aR)-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]propanoate [ACD/IUPAC Name]
Methyl-3-[(5aS,8R,9S,9aR)-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]propanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 203.1±25.0 °C
Index of Refraction: 1.537
Molar Refractivity: 122.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1813.59
ACD/KOC (pH 5.5): 7482.73
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1813.59
ACD/KOC (pH 7.4): 7482.73
Polar Surface Area: 91 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 390.7±3.0 cm3

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