ChemSpider 2D Image | N-{(7S)-1,2,3-Trimethoxy-10-[(~13~C,~2~H_3_)methyloxy]-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide | C2113CH22D3NO6

N-{(7S)-1,2,3-Trimethoxy-10-[(13C,2H3)methyloxy]-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide

  • Molecular FormulaC2113CH22D3NO6
  • Average mass403.448 Da
  • Monoisotopic mass403.190369 Da
  • ChemSpider ID107450129

  • 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-trimethoxy-10-(methyl-13C-d3-oxy)-9-oxobenzo[a]heptalen-7-yl]- [ACD/Index Name]
N-{(7S)-1,2,3-Trimethoxy-10-[(13C,2H3)methyloxy]-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamid [German] [ACD/IUPAC Name]
N-{(7S)-1,2,3-Trimethoxy-10-[(13C,2H3)methyloxy]-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide [ACD/IUPAC Name]
N-{(7S)-1,2,3-Triméthoxy-10-[(13C,2H3)méthyloxy]-9-oxo-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.585
Molar Refractivity: 106.6±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
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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