ChemSpider 2D Image | (4aS,9aR)-2-(2-Phenylethyl)-4a-(5-phenylpentyl)-1,2,3,4,4a,9a-hexahydro[1]benzofuro[2,3-c]pyridin-6-ol | C30H35NO2

(4aS,9aR)-2-(2-Phenylethyl)-4a-(5-phenylpentyl)-1,2,3,4,4a,9a-hexahydro[1]benzofuro[2,3-c]pyridin-6-ol

  • Molecular FormulaC30H35NO2
  • Average mass441.604 Da
  • Monoisotopic mass441.266785 Da
  • ChemSpider ID58984400

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aS,9aR)-2-(2-Phenylethyl)-4a-(5-phenylpentyl)-1,2,3,4,4a,9a-hexahydro[1]benzofuro[2,3-c]pyridin-6-ol [German] [ACD/IUPAC Name]
(4aS,9aR)-2-(2-Phenylethyl)-4a-(5-phenylpentyl)-1,2,3,4,4a,9a-hexahydro[1]benzofuro[2,3-c]pyridin-6-ol [ACD/IUPAC Name]
(4aS,9aR)-2-(2-Phényléthyl)-4a-(5-phénylpentyl)-1,2,3,4,4a,9a-hexahydro[1]benzofuro[2,3-c]pyridin-6-ol [French] [ACD/IUPAC Name]
Benzofuro[2,3-c]pyridin-6-ol, 1,2,3,4,4a,9a-hexahydro-2-(2-phenylethyl)-4a-(5-phenylpentyl)-, (4aS,9aR)- [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: 595.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 314.1±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 134.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 53.27
ACD/KOC (pH 5.5): 83.65
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 836.24
ACD/KOC (pH 7.4): 1313.09
Polar Surface Area: 33 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 391.9±3.0 cm3

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