ChemSpider 2D Image | (−)-Complanadine A | C32H42N4

(−)-Complanadine A

  • Molecular FormulaC32H42N4
  • Average mass482.703 Da
  • Monoisotopic mass482.340942 Da
  • ChemSpider ID26375985

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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(−)-Complanadine A
(1R,1'R,9S,9'S,10R,10'R,16R,16'R)-16,16'-Dimethyl-4,5'-bi(6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadecan)-2,2',4,4',6,6'-hexaen [German] [ACD/IUPAC Name]
(1R,1'R,9S,9'S,10R,10'R,16R,16'R)-16,16'-Dimethyl-4,5'-bi(6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadecane)-2,2',4,4',6,6'-hexaene [ACD/IUPAC Name]
(1R,1'R,9S,9'S,10R,10'R,16R,16'R)-16,16'-Diméthyl-4,5'-bi(6,14-diazatétracyclo[7.5.3.01,10.02,7]heptadécane)-2,2',4,4',6,6'-hexaène [French] [ACD/IUPAC Name]
complanadine A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 636.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 338.9±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 143.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.07
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 5.67
ACD/KOC (pH 7.4): 14.28
Polar Surface Area: 50 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 398.1±5.0 cm3

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