ChemSpider 2D Image | (1aS,1bR,5R,6aS,7aR,8Z,9aS)-4,6a-Bis(acetoxymethyl)-9a-methyl-3-oxo-1a,1b,3,5,6,6a,7a,9a-octahydrobisoxireno[5,6:9,10]cyclodeca[1,2-b]furan-5-yl 2-methylpropanoate | C23H28O10

(1aS,1bR,5R,6aS,7aR,8Z,9aS)-4,6a-Bis(acetoxymethyl)-9a-methyl-3-oxo-1a,1b,3,5,6,6a,7a,9a-octahydrobisoxireno[5,6:9,10]cyclodeca[1,2-b]furan-5-yl 2-methylpropanoate

  • Molecular FormulaC23H28O10
  • Average mass464.462 Da
  • Monoisotopic mass464.168243 Da
  • ChemSpider ID58839700

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1aS,1bR,5R,6aS,7aR,8Z,9aS)-4,6a-Bis(acetoxymethyl)-9a-methyl-3-oxo-1a,1b,3,5,6,6a,7a,9a-octahydrobisoxireno[5,6:9,10]cyclodeca[1,2-b]furan-5-yl 2-methylpropanoate [ACD/IUPAC Name]
(1aS,1bR,5R,6aS,7aR,8Z,9aS)-4,6a-Bis(acetoxymethyl)-9a-methyl-3-oxo-1a,1b,3,5,6,6a,7a,9a-octahydrobisoxireno[5,6:9,10]cyclodeca[1,2-b]furan-5-yl-2-methylpropanoat [German] [ACD/IUPAC Name]
2-Méthylpropanoate de (1aS,1bR,5R,6aS,7aR,8Z,9aS)-4,6a-bis(acétoxyméthyl)-9a-méthyl-3-oxo-1a,1b,3,5,6,6a,7a,9a-octahydrobisoxiréno[5,6:9,10]cyclodéca[1,2-b]furan-5-yle [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, (1aS,1bR,5R,6aS,7aR,8Z,9aS)-4,6a-bis[(acetyloxy)methyl]-1a,1b,3,5,6,6a,7a,9a-octahydro-9a-methyl-3-oxobisoxireno[5,6:9,10]cyclodeca[1,2-b]furan-5-yl ester [ACD/Index 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: 594.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 255.9±30.2 °C
Index of Refraction: 1.554
Molar Refractivity: 110.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 3.40
ACD/KOC (pH 5.5): 83.67
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 3.40
ACD/KOC (pH 7.4): 83.67
Polar Surface Area: 130 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 344.9±5.0 cm3

Click to predict properties on the Chemicalize site


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