ChemSpider 2D Image | CSID:24539948 | C43H53NO14

  • Molecular FormulaC43H53NO14
  • Average mass807.879 Da
  • Monoisotopic mass807.346619 Da
  • ChemSpider ID24539948
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 900.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.1±3.0 kJ/mol
Flash Point: 498.4±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 205.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 290.37
ACD/KOC (pH 5.5): 2016.46
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 290.26
ACD/KOC (pH 7.4): 2015.70
Polar Surface Area: 224 Å2
Polarizability: 81.4±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 585.7±5.0 cm3

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