ChemSpider 2D Image | (−)-Complanadine B | C32H40N4O

(−)-Complanadine B

  • Molecular FormulaC32H40N4O
  • Average mass496.686 Da
  • Monoisotopic mass496.320221 Da
  • ChemSpider ID26381691

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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(−)-Complanadine B
(1R,1'R,9S,9'R,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-8'-on [German] [ACD/IUPAC Name]
(1R,1'R,9S,9'R,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'-hexaen-8'-one [ACD/IUPAC Name]
(1R,1'R,9S,9'R,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'-hexaén-8'-one [French] [ACD/IUPAC Name]
complanadine B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 684.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.9±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 144.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.09
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 20.08
ACD/KOC (pH 7.4): 66.21
Polar Surface Area: 67 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 394.8±5.0 cm3

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