ChemSpider 2D Image | N-[(E)-3-[(2r,3r,4s,5r)-3-Fluoro-4-Hydroxy-5-[6-(Methylamino)purin-9-Yl]oxolan-2-Yl]prop-2-Enyl]-5-(4-Fluorophenyl)-2,3-Dihydroxy-Benzamide | C26H24F2N6O5

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

  • Molecular FormulaC26H24F2N6O5
  • Average mass538.503 Da
  • Monoisotopic mass538.177612 Da
  • ChemSpider ID26325916
  • 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

4'-Fluor-N-[(2E)-3-{(2R,3R,4S,5R)-3-fluor-4-hydroxy-5-[6-(methylamino)-9H-purin-9-yl]tetrahydro-2-furanyl}-2-propen-1-yl]-4,5-dihydroxy-3-biphenylcarboxamid [German] [ACD/IUPAC Name]
4'-Fluoro-N-[(2E)-3-{(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-[6-(methylamino)-9H-purin-9-yl]tetrahydro-2-furanyl}-2-propen-1-yl]-4,5-dihydroxy-3-biphenylcarboxamide [ACD/IUPAC Name]
4'-Fluoro-N-[(2E)-3-{(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-[6-(méthylamino)-9H-purin-9-yl]tétrahydro-2-furanyl}-2-propén-1-yl]-4,5-dihydroxy-3-biphénylcarboxamide [French] [ACD/IUPAC Name]
9H-Purin-6-amine, N-methyl-9-[(5E)-3,5,6,7-tetradeoxy-3-fluoro-7-[[(4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-yl)carbonyl]amino]-β-D-xylo-hept-5-enofuranosyl]- [ACD/Index Name]
N-[(E)-3-[(2r,3r,4s,5r)-3-Fluoro-4-Hydroxy-5-[6-(Methylamino)purin-9-Yl]oxolan-2-Yl]prop-2-Enyl]-5-(4-Fluorophenyl)-2,3-Dihydroxy-Benzamide
659

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: 1.705
Molar Refractivity: 133.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 107.92
ACD/KOC (pH 5.5): 929.53
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 101.06
ACD/KOC (pH 7.4): 870.38
Polar Surface Area: 155 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 342.7±7.0 cm3

Click to predict properties on the Chemicalize site





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