ChemSpider 2D Image | Calcium bis{(6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoate} | C50H46CaF2N2O8

Calcium bis{(6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoate}

  • Molecular FormulaC50H46CaF2N2O8
  • Average mass880.984 Da
  • Monoisotopic mass880.284790 Da
  • ChemSpider ID19643041
  • Charge - Charge

    Double-bond stereo - Double-bond stereo


More details:






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

6-Heptenoic acid, 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-, calcium salt, (6E)- (2:1) [ACD/Index Name]
Bis{(6E)-7-[2-cyclopropyl-4-(4-fluorophényl)-3-quinoléinyl]-3,5-dihydroxy-6-hepténoate} de calcium [French] [ACD/IUPAC Name]
Calcium bis{(6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoate} [ACD/IUPAC Name]
Calciumbis{(6E)-7-[2-cyclopropyl-4-(4-fluorphenyl)-3-chinolinyl]-3,5-dihydroxy-6-heptenoat} [German] [ACD/IUPAC Name]
(3R,5R,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic Acid CalciuM Salt
(3S,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic Acid CalciuM Salt
147526-32-7 (calcium)
254452-92-1 [RN]
254452-96-5 [RN]
calcium;(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

D01862 [DBID]
NK 104 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 24
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 159 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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