ChemSpider 2D Image | 3-Hexanoyl-9a-methyl-6-[(1Z)-1-propen-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione | C21H26O5

3-Hexanoyl-9a-methyl-6-[(1Z)-1-propen-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione

  • Molecular FormulaC21H26O5
  • Average mass358.428 Da
  • Monoisotopic mass358.178009 Da
  • ChemSpider ID35013264

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-Furo[3,2-g][2]benzopyran-2,9(3H)-dione, 3a,4,8,9a-tetrahydro-9a-methyl-3-(1-oxohexyl)-6-[(1Z)-1-propen-1-yl]- [ACD/Index Name]
3-Hexanoyl-9a-methyl-6-[(1Z)-1-propen-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromen-2,9(3H)-dion [German] [ACD/IUPAC Name]
3-Hexanoyl-9a-methyl-6-[(1Z)-1-propen-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione [ACD/IUPAC Name]
3-Hexanoyl-9a-méthyl-6-[(1Z)-1-propén-1-yl]-3a,4,8,9a-tétrahydro-2H-furo[3,2-g]isochromène-2,9(3H)-dione [French] [ACD/IUPAC Name]
3-hexanoyl-9a-methyl-6-[(1Z)-prop-1-en-1-yl]-3H,3aH,4H,8H-furo[3,2-g]isochromene-2,9-dione
Monascoflavin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 574.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 251.5±30.2 °C
Index of Refraction: 1.550
Molar Refractivity: 96.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.22
ACD/KOC (pH 5.5): 737.41
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.18
ACD/KOC (pH 7.4): 736.94
Polar Surface Area: 70 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 301.5±5.0 cm3

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