ChemSpider 2D Image | [5,13-Dihydroxy-6,10-dimethyl-5-(4-morpholinylmethyl)tricyclo[13.2.2.0~2,6~]nonadeca-1(17),9,15,18-tetraen-17-yl](phenyl)methanone | C33H43NO4

[5,13-Dihydroxy-6,10-dimethyl-5-(4-morpholinylmethyl)tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraen-17-yl](phenyl)methanone

  • Molecular FormulaC33H43NO4
  • Average mass517.699 Da
  • Monoisotopic mass517.319214 Da
  • ChemSpider ID2509862

More details:

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

[5,13-Dihydroxy-6,10-dimethyl-5-(4-morpholinylmethyl)tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraen-17-yl](phenyl)methanon [German] [ACD/IUPAC Name]
[5,13-Dihydroxy-6,10-dimethyl-5-(4-morpholinylmethyl)tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraen-17-yl](phenyl)methanone [ACD/IUPAC Name]
[5,13-Dihydroxy-6,10-diméthyl-5-(4-morpholinylméthyl)tricyclo[13.2.2.02,6]nonadéca-1(17),9,15,18-tétraén-17-yl](phényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [2,3,3a,8,9,10,11,14,15,15a-decahydro-1,9-dihydroxy-12,15a-dimethyl-1-(4-morpholinylmethyl)-4,7-etheno-1H-cyclopentacyclotetradecen-5-yl]phenyl- [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: 688.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 369.9±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 150.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 340.97
ACD/KOC (pH 5.5): 852.71
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 7615.74
ACD/KOC (pH 7.4): 19045.89
Polar Surface Area: 70 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 455.7±3.0 cm3

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