ChemSpider 2D Image | CSID:21431240 | C27H27N5O3

  • Molecular FormulaC27H27N5O3
  • Average mass469.535 Da
  • Monoisotopic mass469.211395 Da
  • ChemSpider ID21431240

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

Density: 1.6±0.1 g/cm3
Boiling Point: 727.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 393.6±35.7 °C
Index of Refraction: 1.799
Molar Refractivity: 129.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 29.12
ACD/KOC (pH 5.5): 348.14
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 30.37
ACD/KOC (pH 7.4): 363.13
Polar Surface Area: 98 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 66.6±7.0 dyne/cm
Molar Volume: 302.8±7.0 cm3

Click to predict properties on the Chemicalize site


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