ChemSpider 2D Image | (5Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl}-N-ethyl(3,3,4,4-~2~H_4_)-5-heptenamide | C25H33D4NO4

(5Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl}-N-ethyl(3,3,4,4-2H4)-5-heptenamide

  • Molecular FormulaC25H33D4NO4
  • Average mass419.590 Da
  • Monoisotopic mass419.297363 Da
  • ChemSpider ID45743306
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(5Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl}-N-ethyl(3,3,4,4-2H4)-5-heptenamid [German] [ACD/IUPAC Name]
(5Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl}-N-ethyl(3,3,4,4-2H4)-5-heptenamide [ACD/IUPAC Name]
(5Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-5-phényl-1-pentén-1-yl]cyclopentyl}-N-éthyl(3,3,4,4-2H4)-5-hepténamide [French] [ACD/IUPAC Name]
5-Heptenamide-3,3,4,4-d4, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl]-N-ethyl-, (5Z)- [ACD/Index Name]
(Z)-3,3,4,4-tetradeuterio-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
17-phenyl trinor Prostaglandin F2? ethyl amide-d4
N-ethyl-9?,11?,15S-trihydroxy-17-phenyl-18,19,20-trinor-prosta-5Z,13E-dien-1-amide-3,3,4,4-d4

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 629.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 334.7±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 122.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.24
ACD/KOC (pH 5.5): 463.61
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.24
ACD/KOC (pH 7.4): 463.61
Polar Surface Area: 90 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 362.8±3.0 cm3

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