ChemSpider 2D Image | (1S,6S)-3-Hydroxy-6-methyl-13-azatetracyclo[11.3.1.0~1,9~.0~4,9~]heptadec-3-ene-2,8-dione | C17H23NO3

(1S,6S)-3-Hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadec-3-ene-2,8-dione

  • Molecular FormulaC17H23NO3
  • Average mass289.369 Da
  • Monoisotopic mass289.167786 Da
  • ChemSpider ID30652058

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,6S)-3-Hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadec-3-en-2,8-dion [German] [ACD/IUPAC Name]
(1S,6S)-3-Hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadec-3-ene-2,8-dione [ACD/IUPAC Name]
(1S,6S)-3-Hydroxy-6-méthyl-13-azatétracyclo[11.3.1.01,9.04,9]heptadéc-3-ène-2,8-dione [French] [ACD/IUPAC Name]
5H,8H-4,7a-Methano-1H-indeno[1,7a-e]azonine-8,13(10H)-dione, 2,3,6,7,11,12-hexahydro-9-hydroxy-11-methyl-, (7aS,11S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 505.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.3±6.0 kJ/mol
Flash Point: 259.7±30.1 °C
Index of Refraction: 1.604
Molar Refractivity: 77.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): -1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.36
Polar Surface Area: 58 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 225.8±5.0 cm3

Click to predict properties on the Chemicalize site


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