ChemSpider 2D Image | (3S,3aR,9aR)-9a-Methyl-3-octanoyl-6-[(1E)-1-propen-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione | C23H30O5

(3S,3aR,9aR)-9a-Methyl-3-octanoyl-6-[(1E)-1-propen-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione

  • Molecular FormulaC23H30O5
  • Average mass386.481 Da
  • Monoisotopic mass386.209320 Da
  • ChemSpider ID25046271

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,3aR,9aR)-9a-Methyl-3-octanoyl-6-[(1E)-1-propen-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromen-2,9(3H)-dion [German] [ACD/IUPAC Name]
(3S,3aR,9aR)-9a-Methyl-3-octanoyl-6-[(1E)-1-propen-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione [ACD/IUPAC Name]
(3S,3aR,9aR)-9a-Méthyl-3-octanoyl-6-[(1E)-1-propén-1-yl]-3a,4,8,9a-tétrahydro-2H-furo[3,2-g]isochromène-2,9(3H)-dione [French] [ACD/IUPAC Name]
2H-Furo[3,2-g][2]benzopyran-2,9(3H)-dione, 3a,4,8,9a-tetrahydro-9a-methyl-3-(1-oxooctyl)-6-[(1E)-1-propen-1-yl]-, (3S,3aR,9aR)- [ACD/Index Name]
50980-32-0 [RN]
ankaflavin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 590.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 256.0±30.2 °C
Index of Refraction: 1.543
Molar Refractivity: 105.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 397.65
ACD/KOC (pH 5.5): 2525.37
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 397.47
ACD/KOC (pH 7.4): 2524.26
Polar Surface Area: 70 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 333.8±5.0 cm3

Click to predict properties on the Chemicalize site


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