ChemSpider 2D Image | Methyl 5-acetoxy-6,10-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxohexadecahydro-2H-naphtho[1,2-h]isochromene-2-carboxylate | C28H38O10

Methyl 5-acetoxy-6,10-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxohexadecahydro-2H-naphtho[1,2-h]isochromene-2-carboxylate

  • Molecular FormulaC28H38O10
  • Average mass534.595 Da
  • Monoisotopic mass534.246521 Da
  • ChemSpider ID22369899

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-6,10-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxo-, methyl ester [ACD/Index Name]
5-Acétoxy-6,10-dihydroxy-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-6,10-dihydroxy-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-6,10-dihydroxy-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: 654.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.4±6.0 kJ/mol
Flash Point: 209.8±25.0 °C
Index of Refraction: 1.557
Molar Refractivity: 131.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.18
ACD/KOC (pH 5.5): 170.18
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.18
ACD/KOC (pH 7.4): 170.18
Polar Surface Area: 154 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 409.3±5.0 cm3

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