ChemSpider 2D Image | (3alpha,10xi,13xi,14xi,17xi,19Z)-3,5,14-Trihydroxy-19-({[4-(2-pyridinylcarbamoyl)-1H-imidazol-5-yl]carbonyl}hydrazono)card-20(22)-enolide | C33H40N6O7

(3α,10ξ,13ξ,14ξ,17ξ,19Z)-3,5,14-Trihydroxy-19-({[4-(2-pyridinylcarbamoyl)-1H-imidazol-5-yl]carbonyl}hydrazono)card-20(22)-enolide

  • Molecular FormulaC33H40N6O7
  • Average mass632.707 Da
  • Monoisotopic mass632.295837 Da
  • ChemSpider ID23009689

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 8 defined stereocentres

More details:

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

(3α,10ξ,13ξ,14ξ,17ξ,19Z)-3,5,14-Trihydroxy-19-({[4-(2-pyridinylcarbamoyl)-1H-imidazol-5-yl]carbonyl}hydrazono)card-20(22)-enolid [German] [ACD/IUPAC Name]
(3α,10ξ,13ξ,14ξ,17ξ,19Z)-3,5,14-Trihydroxy-19-({[4-(2-pyridinylcarbamoyl)-1H-imidazol-5-yl]carbonyl}hydrazono)card-20(22)-enolide [ACD/IUPAC Name]
(3α,10ξ,13ξ,14ξ,17ξ,19Z)-3,5,14-Trihydroxy-19-({[4-(2-pyridinylcarbamoyl)-1H-imidazol-5-yl]carbonyl}hydrazono)card-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3,5,14-trihydroxy-19-[2-[[4-[(2-pyridinylamino)carbonyl]-1H-imidazol-5-yl]carbonyl]hydrazinylidene]-, (3α,10ξ,13ξ,14ξ,17ξ,19Z)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.749
Molar Refractivity: 163.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.33
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.71
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.07
Polar Surface Area: 199 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 71.4±7.0 dyne/cm
Molar Volume: 402.0±7.0 cm3

Click to predict properties on the Chemicalize site


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