ChemSpider 2D Image | (20beta)-12-[(20beta)-10-Acetoxy-4,17-cyclocorynan-4-ium-9-yl]-4,17-cyclocorynan-4-ium-11-yl acetate | C42H52N4O4

(20β)-12-[(20β)-10-Acetoxy-4,17-cyclocorynan-4-ium-9-yl]-4,17-cyclocorynan-4-ium-11-yl acetate

  • Molecular FormulaC42H52N4O4
  • Average mass676.886 Da
  • Monoisotopic mass676.397766 Da
  • ChemSpider ID8779921

  • Charge - Charge

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(20β)-12-[(20β)-10-Acetoxy-4,17-cyclocorynan-4-ium-9-yl]-4,17-cyclocorynan-4-ium-11-yl acetate [ACD/IUPAC Name]
(20β)-12-[(20β)-10-Acetoxy-4,17-cyclocorynan-4-ium-9-yl]-4,17-cyclocorynan-4-ium-11-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (20β)-12-[(20β)-10-acétoxy-4,17-cyclocorynan-4-ium-9-yl]-4,17-cyclocorynan-4-ium-11-yle [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.14
ACD/LogD (pH 5.5): -2.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.78
ACD/LogD (pH 7.4): -2.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.78
Polar Surface Area: 84 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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