ChemSpider 2D Image | Methyl 5-acetoxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxohexadecahydro-2H-naphtho[1,2-h]isochromene-2-carboxylate | C28H38O9

Methyl 5-acetoxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxohexadecahydro-2H-naphtho[1,2-h]isochromene-2-carboxylate

  • Molecular FormulaC28H38O9
  • Average mass518.596 Da
  • Monoisotopic mass518.251587 Da
  • ChemSpider ID22369900

More details:

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

2H-Phenanthro[1,2-c]pyran-2-carboxylic acid, 5-(acetyloxy)hexadecahydro-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxo-, methyl ester [ACD/Index Name]
5-Acétoxy-10-hydroxy-2,4b,7,7,10a,12a-hexaméthyl-12-méthylène-1,4,8-trioxohexadécahydro-2H-naphto[1,2-h]isochromène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-acetoxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxohexadecahydro-2H-naphtho[1,2-h]isochromene-2-carboxylate [ACD/IUPAC Name]
Methyl-5-acetoxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylen-1,4,8-trioxohexadecahydro-2H-naphtho[1,2-h]isochromen-2-carboxylat [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: 627.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.4±6.0 kJ/mol
Flash Point: 200.6±25.0 °C
Index of Refraction: 1.546
Molar Refractivity: 130.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.62
ACD/KOC (pH 5.5): 493.31
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.62
ACD/KOC (pH 7.4): 493.31
Polar Surface Area: 133 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 411.5±5.0 cm3

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