ChemSpider 2D Image | N-[2-({(1E)-1-[(9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)ethyl]-5-oxo-1-phenyl-3-pyrrolidinecarboxamide | C31H31N3O8

N-[2-({(1E)-1-[(9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)ethyl]-5-oxo-1-phenyl-3-pyrrolidinecarboxamide

  • Molecular FormulaC31H31N3O8
  • Average mass573.593 Da
  • Monoisotopic mass573.211121 Da
  • ChemSpider ID35146629

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-Pyrrolidinecarboxamide, N-[2-[[(1E)-1-[(9bR)-6-acetyl-3,9b-dihydro-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-2(1H)-dibenzofuranylidene]ethyl]amino]ethyl]-5-oxo-1-phenyl- [ACD/Index Name]
N-[2-({(1E)-1-[(9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-yliden]ethyl}amino)ethyl]-5-oxo-1-phenyl-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
N-[2-({(1E)-1-[(9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)ethyl]-5-oxo-1-phenyl-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
N-[2-({(1E)-1-[(9bR)-6-Acétyl-7,9-dihydroxy-8,9b-diméthyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidène]éthyl}amino)éthyl]-5-oxo-1-phényl-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
N-(2-(((E)-1-((R)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-1,9b-dihydrodibenzo[b,d]furan-2(3H)-ylidene)ethyl)amino)ethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 937.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.1±3.0 kJ/mol
Flash Point: 520.9±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 149.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.31
ACD/KOC (pH 5.5): 804.70
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 26.84
ACD/KOC (pH 7.4): 265.68
Polar Surface Area: 162 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 76.5±5.0 dyne/cm
Molar Volume: 393.2±5.0 cm3

Click to predict properties on the Chemicalize site


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