ChemSpider 2D Image | (4aS,6aS,6bR,8aR,15aR,15bR,17bS)-N,2,2,6a,6b,9,9,15a-Octamethyl-1,2,3,4,5,6,6a,6b,7,8,8a,9,10,15,15a,15b,16,17b-octadecahydro-4aH-chryseno[2,1-b]carbazole-4a-carboxamide | C37H52N2O

(4aS,6aS,6bR,8aR,15aR,15bR,17bS)-N,2,2,6a,6b,9,9,15a-Octamethyl-1,2,3,4,5,6,6a,6b,7,8,8a,9,10,15,15a,15b,16,17b-octadecahydro-4aH-chryseno[2,1-b]carbazole-4a-carboxamide

  • Molecular FormulaC37H52N2O
  • Average mass540.822 Da
  • Monoisotopic mass540.407959 Da
  • ChemSpider ID58109343

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4aS,6aS,6bR,8aR,15aR,15bR,17bS)-N,2,2,6a,6b,9,9,15a-Octamethyl-1,2,3,4,5,6,6a,6b,7,8,8a,9,10,15,15a,15b,16,17b-octadecahydro-4aH-chryseno[2,1-b]carbazol-4a-carboxamid [German] [ACD/IUPAC Name]
(4aS,6aS,6bR,8aR,15aR,15bR,17bS)-N,2,2,6a,6b,9,9,15a-Octamethyl-1,2,3,4,5,6,6a,6b,7,8,8a,9,10,15,15a,15b,16,17b-octadecahydro-4aH-chryseno[2,1-b]carbazole-4a-carboxamide [ACD/IUPAC Name]
(4aS,6aS,6bR,8aR,15aR,15bR,17bS)-N,2,2,6a,6b,9,9,15a-Octaméthyl-1,2,3,4,5,6,6a,6b,7,8,8a,9,10,15,15a,15b,16,17b-octadécahydro-4aH-chryséno[2,1-b]carbazole-4a-carboxamide [French] [ACD/IUPAC Name]
4aH-Chryseno[2,1-b]carbazole-4a-carboxamide, 1,2,3,4,5,6,6a,6b,7,8,8a,9,10,15,15a,15b,16,17b-octadecahydro-N,2,2,6a,6b,9,9,15a-octamethyl-, (4aS,6aS,6bR,8aR,15aR,15bR,17bS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 671.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.7±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 165.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 10.79
ACD/LogD (pH 5.5): 10.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 45 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 481.6±5.0 cm3

Click to predict properties on the Chemicalize site


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