ChemSpider 2D Image | epicoccamide | C29H51NO9

epicoccamide

  • Molecular FormulaC29H51NO9
  • Average mass557.716 Da
  • Monoisotopic mass557.356384 Da
  • ChemSpider ID8568411

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

16-(2-Hydroxy-1,5-dimethyl-4-oxo-4,5-dihydro-1H-pyrrol-3-yl)-15-methyl-16-oxohexadecyl β-D-mannopyranoside [ACD/IUPAC Name]
16-(2-Hydroxy-1,5-dimethyl-4-oxo-4,5-dihydro-1H-pyrrol-3-yl)-15-methyl-16-oxohexadecyl-β-D-mannopyranosid [German] [ACD/IUPAC Name]
3H-Pyrrol-3-one, 1,2-dihydro-5-hydroxy-4-[16-(β-D-mannopyranosyloxy)-2-methyl-1-oxohexadecyl]-1,2-dimethyl- [ACD/Index Name]
606139-26-8 [RN]
epicoccamide
β-D-Mannopyranoside de 16-(2-hydroxy-1,5-diméthyl-4-oxo-4,5-dihydro-1H-pyrrol-3-yl)-15-méthyl-16-oxohexadécyle [French] [ACD/IUPAC Name]
(3E)-3-[1-hydroxy-2-methyl-16-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecylidene]-1,5-dimethylpyrrolidine-2,4-dione
1,2-dihydro-5-hydroxy-4-[16-(β-D-mannopyranosyloxy)-2-methyl-1-oxohexadecyl]-1,2-dimethyl-3H-pyrrol-3-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 703.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.6±6.0 kJ/mol
Flash Point: 379.1±32.9 °C
Index of Refraction: 1.550
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 9.85
ACD/KOC (pH 5.5): 125.77
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.35
Polar Surface Area: 157 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 461.1±5.0 cm3

Click to predict properties on the Chemicalize site


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