ChemSpider 2D Image | (3R,5S,6E)-7-[2-(4-Fluorophenyl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl]-3,5-dihydroxy-6-heptenoate | C19H20FN2O4

(3R,5S,6E)-7-[2-(4-Fluorophenyl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl]-3,5-dihydroxy-6-heptenoate

  • Molecular FormulaC19H20FN2O4
  • Average mass359.372 Da
  • Monoisotopic mass359.141266 Da
  • ChemSpider ID129181275

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S,6E)-7-[2-(4-Fluorophenyl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl]-3,5-dihydroxy-6-heptenoate [ACD/IUPAC Name]
(3R,5S,6E)-7-[2-(4-Fluorophényl)-2,4,5,6-tétrahydrocyclopenta[c]pyrazol-3-yl]-3,5-dihydroxy-6-hepténoate [French] [ACD/IUPAC Name]
(3R,5S,6E)-7-[2-(4-Fluorphenyl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl]-3,5-dihydroxy-6-heptenoat [German] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[2-(4-fluorophenyl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl]-3,5-dihydroxy-, ion(1-), (3R,5S,6E)- [ACD/Index Name]

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

Density:
Boiling Point: 654.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 349.7±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.36
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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