ChemSpider 2D Image | (2R,4aR,5S,10bR)-N-(4-Hydroxy-5-isopropyl-2-methylphenyl)-2,5-dimethyl-5-(4-methylpentyl)-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromene-9-carboxamide | C31H43NO4

(2R,4aR,5S,10bR)-N-(4-Hydroxy-5-isopropyl-2-methylphenyl)-2,5-dimethyl-5-(4-methylpentyl)-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromene-9-carboxamide

  • Molecular FormulaC31H43NO4
  • Average mass493.677 Da
  • Monoisotopic mass493.319214 Da
  • ChemSpider ID60576479

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,4aR,5S,10bR)-N-(4-Hydroxy-5-isopropyl-2-methylphenyl)-2,5-dimethyl-5-(4-methylpentyl)-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromen-9-carboxamid [German] [ACD/IUPAC Name]
(2R,4aR,5S,10bR)-N-(4-Hydroxy-5-isopropyl-2-methylphenyl)-2,5-dimethyl-5-(4-methylpentyl)-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromene-9-carboxamide [ACD/IUPAC Name]
(2R,4aR,5S,10bR)-N-(4-Hydroxy-5-isopropyl-2-méthylphényl)-2,5-diméthyl-5-(4-méthylpentyl)-3,4,4a,10b-tétrahydro-2H,5H-pyrano[3,2-c]chromène-9-carboxamide [French] [ACD/IUPAC Name]
2H,5H-Pyrano[3,2-c][1]benzopyran-9-carboxamide, 3,4,4a,10b-tetrahydro-N-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-2,5-dimethyl-5-(4-methylpentyl)-, (2R,4aR,5S,10bR)- [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: 557.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 290.7±30.1 °C
Index of Refraction: 1.553
Molar Refractivity: 146.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.29
ACD/LogD (pH 5.5): 7.62
ACD/BCF (pH 5.5): 365796.13
ACD/KOC (pH 5.5): 333993.41
ACD/LogD (pH 7.4): 7.62
ACD/BCF (pH 7.4): 365413.16
ACD/KOC (pH 7.4): 333643.75
Polar Surface Area: 68 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 456.4±3.0 cm3

Click to predict properties on the Chemicalize site


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