ChemSpider 2D Image | (1aS,2S,2aS,5S,5aS,6S,6aR)-5-Benzyl-2-[(1E,4S)-6-hydroxy-8,8-dimethoxy-4,6-dimethyl-5-oxo-1-octen-1-yl]-6,6a-dimethyl-3-oxooctahydro-2aH-oxireno[f]isoindol-2a-yl methyl carbonate | C31H43NO9

(1aS,2S,2aS,5S,5aS,6S,6aR)-5-Benzyl-2-[(1E,4S)-6-hydroxy-8,8-dimethoxy-4,6-dimethyl-5-oxo-1-octen-1-yl]-6,6a-dimethyl-3-oxooctahydro-2aH-oxireno[f]isoindol-2a-yl methyl carbonate

  • Molecular FormulaC31H43NO9
  • Average mass573.674 Da
  • Monoisotopic mass573.293762 Da
  • ChemSpider ID27024303

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(1aS,2S,2aS,5S,5aS,6S,6aR)-5-Benzyl-2-[(1E,4S)-6-hydroxy-8,8-dimethoxy-4,6-dimethyl-5-oxo-1-octen-1-yl]-6,6a-dimethyl-3-oxooctahydro-2aH-oxireno[f]isoindol-2a-yl methyl carbonate [ACD/IUPAC Name]
(1aS,2S,2aS,5S,5aS,6S,6aR)-5-Benzyl-2-[(1E,4S)-6-hydroxy-8,8-dimethoxy-4,6-dimethyl-5-oxo-1-octen-1-yl]-6,6a-dimethyl-3-oxooctahydro-2aH-oxireno[f]isoindol-2a-yl-methylcarbonat [German] [ACD/IUPAC Name]
Carbonate de (1aS,2S,2aS,5S,5aS,6S,6aR)-5-benzyl-2-[(1E,4S)-6-hydroxy-8,8-diméthoxy-4,6-diméthyl-5-oxo-1-octén-1-yl]-6,6a-diméthyl-3-oxooctahydro-2aH-oxiréno[f]isoindol-2a-yle et de méthyle [French] [ACD/IUPAC Name]
Carbonic acid, methyl (1aS,2S,2aS,5S,5aS,6S,6aR)-octahydro-2-[(1E,4S)-6-hydroxy-8,8-dimethoxy-4,6-dimethyl-5-oxo-1-octen-1-yl]-6,6a-dimethyl-3-oxo-5-(phenylmethyl)-2aH-oxireno[f]isoindol-2a-yl ester [ACD/Index Name]
cytochalasin Z18

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

Density: 1.2±0.1 g/cm3
Boiling Point: 730.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 395.4±32.9 °C
Index of Refraction: 1.561
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 130.05
ACD/KOC (pH 5.5): 1134.75
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 130.05
ACD/KOC (pH 7.4): 1134.75
Polar Surface Area: 133 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 464.6±5.0 cm3

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