ChemSpider 2D Image | (5aS,8R)-5,5,8,11,11-Pentamethyl-8-vinyl-6,7,8,11-tetrahydro-1H-1-azacyclohepta[mno]aceanthrylen-5a(5H)-ol | C25H29NO

(5aS,8R)-5,5,8,11,11-Pentamethyl-8-vinyl-6,7,8,11-tetrahydro-1H-1-azacyclohepta[mno]aceanthrylen-5a(5H)-ol

  • Molecular FormulaC25H29NO
  • Average mass359.504 Da
  • Monoisotopic mass359.224915 Da
  • ChemSpider ID78437495

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5aS,8R)-5,5,8,11,11-Pentamethyl-8-vinyl-6,7,8,11-tetrahydro-1H-1-azacyclohepta[mno]aceanthrylen-5a(5H)-ol [German] [ACD/IUPAC Name]
(5aS,8R)-5,5,8,11,11-Pentamethyl-8-vinyl-6,7,8,11-tetrahydro-1H-1-azacyclohepta[mno]aceanthrylen-5a(5H)-ol [ACD/IUPAC Name]
(5aS,8R)-5,5,8,11,11-Pentaméthyl-8-vinyl-6,7,8,11-tétrahydro-1H-1-azacyclohepta[mno]acéanthrylén-5a(5H)-ol [French] [ACD/IUPAC Name]
1H-1-Azacyclohept[mno]aceanthrylen-5a(5H)-ol, 8-ethenyl-6,7,8,11-tetrahydro-5,5,8,11,11-pentamethyl-, (5aS,8R)- [ACD/Index Name]
Ambiguine P

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

Density: 1.2±0.1 g/cm3
Boiling Point: 534.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 277.1±30.1 °C
Index of Refraction: 1.654
Molar Refractivity: 111.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.77
ACD/LogD (pH 5.5): 6.58
ACD/BCF (pH 5.5): 59454.69
ACD/KOC (pH 5.5): 90979.56
ACD/LogD (pH 7.4): 6.58
ACD/BCF (pH 7.4): 59454.82
ACD/KOC (pH 7.4): 90979.77
Polar Surface Area: 36 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 304.3±5.0 cm3

Click to predict properties on the Chemicalize site


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