ChemSpider 2D Image | N-[(E)-3-[(2r,3s,4r,5r)-3,4-Dihydroxy-5-(6-Methylpurin-9-Yl)oxolan-2-Yl]prop-2-Enyl]-5-(4-Fluorophenyl)-2,3-Dihydroxy-Benzamide | C26H24FN5O6

N-[(E)-3-[(2r,3s,4r,5r)-3,4-Dihydroxy-5-(6-Methylpurin-9-Yl)oxolan-2-Yl]prop-2-Enyl]-5-(4-Fluorophenyl)-2,3-Dihydroxy-Benzamide

  • Molecular FormulaC26H24FN5O6
  • Average mass521.497 Da
  • Monoisotopic mass521.171082 Da
  • ChemSpider ID26325908
  • 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

9H-Purine, 6-methyl-9-[(5E)-5,6,7-trideoxy-7-[[(4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-yl)carbonyl]amino]-β-D-ribo-hept-5-enofuranosyl]- [ACD/Index Name]
N-[(E)-3-[(2r,3s,4r,5r)-3,4-Dihydroxy-5-(6-Methylpurin-9-Yl)oxolan-2-Yl]prop-2-Enyl]-5-(4-Fluorophenyl)-2,3-Dihydroxy-Benzamide
N-{(2E)-3-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-methyl-9H-purin-9-yl)tetrahydro-2-furanyl]-2-propen-1-yl}-4'-fluor-4,5-dihydroxy-3-biphenylcarboxamid [German] [ACD/IUPAC Name]
N-{(2E)-3-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-methyl-9H-purin-9-yl)tetrahydro-2-furanyl]-2-propen-1-yl}-4'-fluoro-4,5-dihydroxy-3-biphenylcarboxamide [ACD/IUPAC Name]
N-{(2E)-3-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-méthyl-9H-purin-9-yl)tétrahydro-2-furanyl]-2-propén-1-yl}-4'-fluoro-4,5-dihydroxy-3-biphénylcarboxamide [French] [ACD/IUPAC Name]
637

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.719
Molar Refractivity: 131.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.77
ACD/KOC (pH 5.5): 392.83
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 20.91
ACD/KOC (pH 7.4): 275.97
Polar Surface Area: 163 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 332.5±7.0 cm3

Click to predict properties on the Chemicalize site






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