ChemSpider 2D Image | melampodin A | C21H24O9

melampodin A

  • Molecular FormulaC21H24O9
  • Average mass420.410 Da
  • Monoisotopic mass420.142029 Da
  • ChemSpider ID65322279

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1aR,4S,5S,5aS,8aR,9E,10aS)-5-({[(2R,3R)-2,3-Diméthyl-2-oxiranyl]carbonyl}oxy)-4-hydroxy-10-méthyl-6-méthylène-7-oxo-1a,4,5,5a,6,7,8a,10a-octahydrooxiréno[7,8]cyclodéca[1,2-b]furane-3-carboxylate de m éthyle [French] [ACD/IUPAC Name]
melampodin A
Methyl (1aR,4S,5S,5aS,8aR,9E,10aS)-5-({[(2R,3R)-2,3-dimethyl-2-oxiranyl]carbonyl}oxy)-4-hydroxy-10-methyl-6-methylene-7-oxo-1a,4,5,5a,6,7,8a,10a-octahydrooxireno[7,8]cyclodeca[1,2-b]furan-3-carboxylat e [ACD/IUPAC Name]
Methyl-(1aR,4S,5S,5aS,8aR,9E,10aS)-5-({[(2R,3R)-2,3-dimethyl-2-oxiranyl]carbonyl}oxy)-4-hydroxy-10-methyl-6-methylen-7-oxo-1a,4,5,5a,6,7,8a,10a-octahydrooxireno[7,8]cyclodeca[1,2-b]furan-3-carboxylat [German] [ACD/IUPAC Name]
Oxireno[7,8]cyclodeca[1,2-b]furan-3-carboxylic acid, 5-[[[(2R,3R)-2,3-dimethyloxiranyl]carbonyl]oxy]-1a,4,5,5a,6,7,8a,10a-octahydro-4-hydroxy-10-methyl-6-methylene-7-oxo-, methyl ester, (1aR,4S,5S,5aS ,8aR,9E,10aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 590.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.1±6.0 kJ/mol
Flash Point: 205.6±23.6 °C
Index of Refraction: 1.577
Molar Refractivity: 100.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 2.13
ACD/KOC (pH 5.5): 59.76
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 2.13
ACD/KOC (pH 7.4): 59.76
Polar Surface Area: 124 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 303.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement