ChemSpider 2D Image | N-[(7S)-1,2,3,10-Tetramethoxy-9-oxo(8,11-~2~H_2_)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide | C22H23D2NO6

N-[(7S)-1,2,3,10-Tetramethoxy-9-oxo(8,11-2H2)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

  • Molecular FormulaC22H23D2NO6
  • Average mass401.449 Da
  • Monoisotopic mass401.180756 Da
  • ChemSpider ID8199553

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Acetamide, N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl-8,11-d2]- [ACD/Index Name]
N-[(7S)-1,2,3,10-Tetramethoxy-9-oxo(8,11-2H2)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamid [German] [ACD/IUPAC Name]
N-[(7S)-1,2,3,10-Tetramethoxy-9-oxo(8,11-2H2)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide [ACD/IUPAC Name]
N-[(7S)-1,2,3,10-Tétraméthoxy-9-oxo(8,11-2H2)-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl]acétamide [French] [ACD/IUPAC 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: 726.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.9±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 106.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.06
ACD/KOC (pH 5.5): 94.92
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.06
ACD/KOC (pH 7.4): 94.92
Polar Surface Area: 83 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 318.1±5.0 cm3

Click to predict properties on the Chemicalize site


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