ChemSpider 2D Image | O-2372 | C28H41NO4

O-2372

  • Molecular FormulaC28H41NO4
  • Average mass455.629 Da
  • Monoisotopic mass455.303558 Da
  • ChemSpider ID21259336

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Heptanone, 6-methyl-1-(4-morpholinyl)-6-[(6aR,10aR)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl]- [ACD/Index Name]
6-[(6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-6-methyl-1-(4-morpholinyl)-1-heptanon [German] [ACD/IUPAC Name]
6-[(6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-6-methyl-1-(4-morpholinyl)-1-heptanone [ACD/IUPAC Name]
6-[(6aR,10aR)-1-Hydroxy-6,6,9-triméthyl-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-3-yl]-6-méthyl-1-(4-morpholinyl)-1-heptanone [French] [ACD/IUPAC Name]
6-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]isochromen-3-yl]-6-methyl-1-morpholino-heptan-1-one
O-2372 [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 570.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 299.1±30.1 °C
Index of Refraction: 1.536
Molar Refractivity: 130.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31349.98
ACD/KOC (pH 5.5): 57541.94
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 31227.47
ACD/KOC (pH 7.4): 57317.09
Polar Surface Area: 59 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 418.4±3.0 cm3

Click to predict properties on the Chemicalize site


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