ChemSpider 2D Image | N-{(5R)-5-[(1R,3R,7E,17beta)-1,3-Dihydroxy-9,10-secoestra-5,7-dien-17-yl]hexyl}-N~2~,N~2~-dimethylglycinamide | C28H48N2O3

N-{(5R)-5-[(1R,3R,7E,17β)-1,3-Dihydroxy-9,10-secoestra-5,7-dien-17-yl]hexyl}-N2,N2-dimethylglycinamide

  • Molecular FormulaC28H48N2O3
  • Average mass460.692 Da
  • Monoisotopic mass460.366486 Da
  • ChemSpider ID25034299

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Acetamide, N-[(5R)-5-[(1R,3aS,4E,7aR)-4-[2-[(3R,5R)-3,5-dihydroxycyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]hexyl]-2-(dimethylamino)- [ACD/Index Name]
N-{(5R)-5-[(1R,3R,7E,17β)-1,3-Dihydroxy-9,10-secoestra-5,7-dien-17-yl]hexyl}-N2,N2-dimethylglycinamid [German] [ACD/IUPAC Name]
N-{(5R)-5-[(1R,3R,7E,17β)-1,3-Dihydroxy-9,10-secoestra-5,7-dien-17-yl]hexyl}-N2,N2-dimethylglycinamide [ACD/IUPAC Name]
N-{(5R)-5-[(1R,3R,7E,17β)-1,3-Dihydroxy-9,10-sécoestra-5,7-dién-17-yl]hexyl}-N2,N2-diméthylglycinamide [French] [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: 635.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.6±6.0 kJ/mol
Flash Point: 338.0±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 139.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 52.73
ACD/KOC (pH 5.5): 210.98
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1361.77
ACD/KOC (pH 7.4): 5448.30
Polar Surface Area: 73 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 409.6±3.0 cm3

Click to predict properties on the Chemicalize site


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