Found 1 result

Search term: 78439848 (Found by CSID)
ChemSpider 2D Image | N-{(3E)-5-[(2S)-2-(4-Hydroxybenzyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-3-methoxy-5-oxo-3-penten-1-yl}-6,6-dimethylheptanamide | C26H36N2O5

N-{(3E)-5-[(2S)-2-(4-Hydroxybenzyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-3-methoxy-5-oxo-3-penten-1-yl}-6,6-dimethylheptanamide

  • Molecular FormulaC26H36N2O5
  • Average mass456.574 Da
  • Monoisotopic mass456.262421 Da
  • ChemSpider ID78439848

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Heptanamide, N-[(3E)-5-[(2S)-2,5-dihydro-2-[(4-hydroxyphenyl)methyl]-5-oxo-1H-pyrrol-1-yl]-3-methoxy-5-oxo-3-penten-1-yl]-6,6-dimethyl- [ACD/Index Name]
N-{(3E)-5-[(2S)-2-(4-Hydroxybenzyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-3-methoxy-5-oxo-3-penten-1-yl}-6,6-dimethylheptanamid [German] [ACD/IUPAC Name]
N-{(3E)-5-[(2S)-2-(4-Hydroxybenzyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-3-methoxy-5-oxo-3-penten-1-yl}-6,6-dimethylheptanamide [ACD/IUPAC Name]
N-{(3E)-5-[(2S)-2-(4-Hydroxybenzyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-3-méthoxy-5-oxo-3-pentén-1-yl}-6,6-diméthylheptanamide [French] [ACD/IUPAC Name]
ypaoamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 663.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 354.9±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 127.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 251.25
ACD/KOC (pH 5.5): 1818.04
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 250.51
ACD/KOC (pH 7.4): 1812.68
Polar Surface Area: 96 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 397.9±3.0 cm3

Click to predict properties on the Chemicalize site


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