ChemSpider 2D Image | N-[(7S)-1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]undecanamide | C31H43NO6

N-[(7S)-1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]undecanamide

  • Molecular FormulaC31H43NO6
  • Average mass525.676 Da
  • Monoisotopic mass525.309021 Da
  • ChemSpider ID76794445

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-[(7S)-1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]undecanamid [German] [ACD/IUPAC Name]
N-[(7S)-1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]undecanamide [ACD/IUPAC Name]
N-[(7S)-1,2,3,10-Tétraméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl]undécanamide [French] [ACD/IUPAC Name]
Undecanamide, N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 767.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.9±32.9 °C
Index of Refraction: 1.554
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 25791.70
ACD/KOC (pH 5.5): 50040.62
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 25791.70
ACD/KOC (pH 7.4): 50040.62
Polar Surface Area: 83 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 463.0±5.0 cm3

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