ChemSpider 2D Image | 9-[(2R,5S,6S)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]-1,5,8-trihydroxy-3-methyl-7,12-tetraphenedione | C27H27NO6

9-[(2R,5S,6S)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]-1,5,8-trihydroxy-3-methyl-7,12-tetraphenedione

  • Molecular FormulaC27H27NO6
  • Average mass461.506 Da
  • Monoisotopic mass461.183838 Da
  • ChemSpider ID40256515

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

9-[(2R,5S,6S)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]-1,5,8-trihydroxy-3-methyl-7,12-tetraphendion [German] [ACD/IUPAC Name]
9-[(2R,5S,6S)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]-1,5,8-trihydroxy-3-methyl-7,12-tetraphenedione [ACD/IUPAC Name]
9-[(2R,5S,6S)-5-(Diméthylamino)-6-méthyltétrahydro-2H-pyran-2-yl]-1,5,8-trihydroxy-3-méthyl-7,12-tétraphènedione [French] [ACD/IUPAC Name]
Benz[a]anthracene-7,12-dione, 9-[(2R,5S,6S)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-1,5,8-trihydroxy-3-methyl- [ACD/Index Name]
Monacyclinone B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 647.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 345.4±31.5 °C
Index of Refraction: 1.714
Molar Refractivity: 126.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 8.13
ACD/KOC (pH 5.5): 26.68
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 12.86
ACD/KOC (pH 7.4): 42.20
Polar Surface Area: 107 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 77.1±5.0 dyne/cm
Molar Volume: 321.8±5.0 cm3

Click to predict properties on the Chemicalize site


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