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ChemSpider 2D Image | N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide | C18H17F3N4O8

N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide

  • Molecular FormulaC18H17F3N4O8
  • Average mass474.345 Da
  • Monoisotopic mass474.099854 Da
  • ChemSpider ID26328420

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-Imidazole, 1-[(5E)-5,6,7-trideoxy-7-[(2,3-dihydroxy-5-nitrobenzoyl)amino]-β-D-ribo-hept-5-enofuranosyl]-4-(trifluoromethyl)- [ACD/Index Name]
N-[(2E)-3-{(2R,3S,4R,5R)-3,4-Dihydroxy-5-[4-(trifluormethyl)-1H-imidazol-1-yl]tetrahydro-2-furanyl}-2-propen-1-yl]-2,3-dihydroxy-5-nitrobenzamid [German] [ACD/IUPAC Name]
N-[(2E)-3-{(2R,3S,4R,5R)-3,4-Dihydroxy-5-[4-(trifluoromethyl)-1H-imidazol-1-yl]tetrahydro-2-furanyl}-2-propen-1-yl]-2,3-dihydroxy-5-nitrobenzamide [ACD/IUPAC Name]
N-[(2E)-3-{(2R,3S,4R,5R)-3,4-Dihydroxy-5-[4-(trifluorométhyl)-1H-imidazol-1-yl]tétrahydro-2-furanyl}-2-propén-1-yl]-2,3-dihydroxy-5-nitrobenzamide [French] [ACD/IUPAC Name]
N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide

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

Density: 1.8±0.1 g/cm3
Boiling Point: 707.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 381.7±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 99.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 4.45
ACD/KOC (pH 5.5): 82.64
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.12
Polar Surface Area: 183 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 269.0±7.0 cm3

Click to predict properties on the Chemicalize site


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