ChemSpider 2D Image | 4-Hydroxy-3-(3-methoxy-3-oxo-1-propen-2-yl)-8a-methyl-5,8-dioxodecahydro-2-naphthalenyl 3,4-dihydroxy-2-methylenebutanoate | C20H26O9

4-Hydroxy-3-(3-methoxy-3-oxo-1-propen-2-yl)-8a-methyl-5,8-dioxodecahydro-2-naphthalenyl 3,4-dihydroxy-2-methylenebutanoate

  • Molecular FormulaC20H26O9
  • Average mass410.415 Da
  • Monoisotopic mass410.157684 Da
  • ChemSpider ID29814560

More details:

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

2-Naphthaleneacetic acid, 3-(3,4-dihydroxy-2-methylene-1-oxobutoxy)decahydro-1-hydroxy-4a-methyl-α-methylene-5,8-dioxo-, methyl ester [ACD/Index Name]
3,4-Dihydroxy-2-méthylènebutanoate de 4-hydroxy-3-(3-méthoxy-3-oxo-1-propén-2-yl)-8a-méthyl-5,8-dioxodécahydro-2-naphtalényle [French] [ACD/IUPAC Name]
4-Hydroxy-3-(3-methoxy-3-oxo-1-propen-2-yl)-8a-methyl-5,8-dioxodecahydro-2-naphthalenyl 3,4-dihydroxy-2-methylenebutanoate [ACD/IUPAC Name]
4-Hydroxy-3-(3-methoxy-3-oxo-1-propen-2-yl)-8a-methyl-5,8-dioxodecahydro-2-naphthalinyl-3,4-dihydroxy-2-methylenbutanoat [German] [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: 621.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.5±6.0 kJ/mol
Flash Point: 216.1±25.0 °C
Index of Refraction: 1.555
Molar Refractivity: 98.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 41.97
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 41.97
Polar Surface Area: 147 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 305.5±5.0 cm3

Click to predict properties on the Chemicalize site


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