ChemSpider 2D Image | 840PPY007V | C25H37NO2

840PPY007V

  • Molecular FormulaC25H37NO2
  • Average mass383.567 Da
  • Monoisotopic mass383.282440 Da
  • ChemSpider ID32698440

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Cyclopentyl-5-[(1S,9R,13S)-4-hydroxy-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]-3-pentanon [German] [ACD/IUPAC Name]
1-Cyclopentyl-5-[(1S,9R,13S)-4-hydroxy-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]-3-pentanone [ACD/IUPAC Name]
1-Cyclopentyl-5-[(1S,9R,13S)-4-hydroxy-1,10,13-triméthyl-10-azatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-13-yl]-3-pentanone [French] [ACD/IUPAC Name]
3-Pentanone, 1-cyclopentyl-5-[(2R,6S,11S)-1,2,3,4,5,6-hexahydro-8-hydroxy-3,6,11-trimethyl-2,6-methano-3-benzazocin-11-yl]- [ACD/Index Name]
71076-28-3 [RN]
71276-43-2 [RN]
840PPY007V
rel-1-Cyclopentyl-5-[(2R,6S,11S)-1,2,3,4,5,6-hexahydro-8-hydroxy-3,6,11-trimethyl-2,6-methano-3-benzazocin-11-yl]-3-pentanone
UNII:840PPY007V
X9BMD58553
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5793 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 514.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 264.8±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 114.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 4.12
ACD/KOC (pH 5.5): 13.85
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 91.19
ACD/KOC (pH 7.4): 306.21
Polar Surface Area: 41 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 362.1±3.0 cm3

Click to predict properties on the Chemicalize site


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