ChemSpider 2D Image | N-(3-Chloropropyl)-2-[(1R,2R,3R,7R,8R,11R,14R)-14-hydroxy-3-isopropyl-14-methyl-6,10-bis(methylene)-15-oxatricyclo[6.6.1.0~2,7~]pentadec-11-yl]acetamide | C25H40ClNO3

N-(3-Chloropropyl)-2-[(1R,2R,3R,7R,8R,11R,14R)-14-hydroxy-3-isopropyl-14-methyl-6,10-bis(methylene)-15-oxatricyclo[6.6.1.02,7]pentadec-11-yl]acetamide

  • Molecular FormulaC25H40ClNO3
  • Average mass438.043 Da
  • Monoisotopic mass437.269684 Da
  • ChemSpider ID26345919

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

5,12-Epoxybenzocyclodecene-8-acetamide, N-(3-chloropropyl)tetradecahydro-11-hydroxy-11-methyl-4,7-bis(methylene)-1-(1-methylethyl)-, (1R,4aR,5R,8R,11R,12R,12aR)- [ACD/Index Name]
N-(3-Chloropropyl)-2-[(1R,2R,3R,7R,8R,11R,14R)-14-hydroxy-3-isopropyl-14-methyl-6,10-bis(methylene)-15-oxatricyclo[6.6.1.02,7]pentadec-11-yl]acetamide [ACD/IUPAC Name]
N-(3-Chloropropyl)-2-[(1R,2R,3R,7R,8R,11R,14R)-14-hydroxy-3-isopropyl-14-méthyl-6,10-diméthylène-15-oxatricyclo[6.6.1.02,7]pentadéc-11-yl]acétamide [French] [ACD/IUPAC Name]
N-(3-Chlorpropyl)-2-[(1R,2R,3R,7R,8R,11R,14R)-14-hydroxy-3-isopropyl-14-methyl-6,10-dimethylen-15-oxatricyclo[6.6.1.02,7]pentadec-11-yl]acetamid [German] [ACD/IUPAC 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: 595.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.9±6.0 kJ/mol
Flash Point: 314.1±30.1 °C
Index of Refraction: 1.530
Molar Refractivity: 122.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1948.14
ACD/KOC (pH 5.5): 7876.03
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1948.14
ACD/KOC (pH 7.4): 7876.04
Polar Surface Area: 59 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 396.2±5.0 cm3

Click to predict properties on the Chemicalize site


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