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Search term: 24846085 (Found by CSID)
ChemSpider 2D Image | 1-[(2R,4'S)-6-Hydroxy-4'-isopropyl-4-methoxy-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-7-yl]-3-phenyl-1-propanone | C26H30O4

1-[(2R,4'S)-6-Hydroxy-4'-isopropyl-4-methoxy-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-7-yl]-3-phenyl-1-propanone

  • Molecular FormulaC26H30O4
  • Average mass406.514 Da
  • Monoisotopic mass406.214417 Da
  • ChemSpider ID24846085

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(2R,4'S)-6-Hydroxy-4'-isopropyl-4-methoxy-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-7-yl]-3-phenyl-1-propanone [ACD/IUPAC Name]
1-Propanone, 1-[(2R,4'S)-6-hydroxy-4-methoxy-4'-(1-methylethyl)spiro[benzofuran-2(3H),1'-cyclohex[2]en]-7-yl]-3-phenyl- [ACD/Index Name]
Adunctin C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 594.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 200.7±23.6 °C
Index of Refraction: 1.605
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 6.67
ACD/BCF (pH 5.5): 69163.60
ACD/KOC (pH 5.5): 101016.57
ACD/LogD (pH 7.4): 6.37
ACD/BCF (pH 7.4): 34719.05
ACD/KOC (pH 7.4): 50708.75
Polar Surface Area: 56 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 340.2±5.0 cm3

Click to predict properties on the Chemicalize site


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