ChemSpider 2D Image | pleosporalone D | C27H30O8

pleosporalone D

  • Molecular FormulaC27H30O8
  • Average mass482.522 Da
  • Monoisotopic mass482.194061 Da
  • ChemSpider ID71120852

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R,4E)-3-Acétoxy-2,4-diméthyl-4-hexénoate de (7S)-7-méthyl-3-(2-méthyl-6-oxo-1-cyclohexén-1-yl)-6,8-dioxo-7,8-dihydro-6H-isochromén-7-yle [French] [ACD/IUPAC Name]
(7S)-7-Methyl-3-(2-methyl-6-oxo-1-cyclohexen-1-yl)-6,8-dioxo-7,8-dihydro-6H-isochromen-7-yl (2S,3R,4E)-3-acetoxy-2,4-dimethyl-4-hexenoate [ACD/IUPAC Name]
(7S)-7-Methyl-3-(2-methyl-6-oxo-1-cyclohexen-1-yl)-6,8-dioxo-7,8-dihydro-6H-isochromen-7-yl-(2S,3R,4E)-3-acetoxy-2,4-dimethyl-4-hexenoat [German] [ACD/IUPAC Name]
4-Hexenoic acid, 3-(acetyloxy)-2,4-dimethyl-, (7S)-7,8-dihydro-7-methyl-3-(2-methyl-6-oxo-1-cyclohexen-1-yl)-6,8-dioxo-6H-2-benzopyran-7-yl ester, (2S,3R,4E)- [ACD/Index Name]
pleosporalone D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 559.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 237.1±30.2 °C
Index of Refraction: 1.564
Molar Refractivity: 124.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 158.18
ACD/KOC (pH 5.5): 1305.42
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 158.18
ACD/KOC (pH 7.4): 1305.42
Polar Surface Area: 113 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 384.1±5.0 cm3

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