ChemSpider 2D Image | alistonitrine A | C21H25N3O3

alistonitrine A

  • Molecular FormulaC21H25N3O3
  • Average mass367.441 Da
  • Monoisotopic mass367.189606 Da
  • ChemSpider ID30974158

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

alistonitrine A
Methyl (1'R,2R,3S,9'R,10'R,12'R,14'S,18'R)-3,19'-dimethylspiro[oxirane-2,13'-[8,15,19]triazahexacyclo[10.5.1.110,14.01,9.02,7.09,15]nonadeca[2,4,6]triene]-18'-carboxylate [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 516.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 266.1±30.1 °C
Index of Refraction: 1.699
Molar Refractivity: 98.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 5.61
ACD/KOC (pH 5.5): 93.46
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.17
ACD/KOC (pH 7.4): 219.21
Polar Surface Area: 57 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 256.0±5.0 cm3

Click to predict properties on the Chemicalize site


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