ChemSpider 2D Image | 5-(4-Fluorophenyl)-2,3-Dihydroxy-N-[(E)-3-[(2r,3r,4r,5r)-4-Hydroxy-3-Methyl-5-[6-(Propylamino)purin-9-Yl]oxolan-2-Yl]prop-2-Enyl]benzamide | C29H31FN6O5

5-(4-Fluorophenyl)-2,3-Dihydroxy-N-[(E)-3-[(2r,3r,4r,5r)-4-Hydroxy-3-Methyl-5-[6-(Propylamino)purin-9-Yl]oxolan-2-Yl]prop-2-Enyl]benzamide

  • Molecular FormulaC29H31FN6O5
  • Average mass562.592 Da
  • Monoisotopic mass562.234009 Da
  • ChemSpider ID26325917

  • 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-4,5-dihydroxy-N-[(2E)-3-{(2R,3R,4R,5R)-4-hydroxy-3-methyl-5-[6-(propylamino)-9H-purin-9-yl]tetrahydro-2-furanyl}-2-propen-1-yl]-3-biphenylcarboxamid [German] [ACD/IUPAC Name]
4'-Fluoro-4,5-dihydroxy-N-[(2E)-3-{(2R,3R,4R,5R)-4-hydroxy-3-methyl-5-[6-(propylamino)-9H-purin-9-yl]tetrahydro-2-furanyl}-2-propen-1-yl]-3-biphenylcarboxamide [ACD/IUPAC Name]
4'-Fluoro-4,5-dihydroxy-N-[(2E)-3-{(2R,3R,4R,5R)-4-hydroxy-3-méthyl-5-[6-(propylamino)-9H-purin-9-yl]tétrahydro-2-furanyl}-2-propén-1-yl]-3-biphénylcarboxamide [French] [ACD/IUPAC Name]
5-(4-Fluorophenyl)-2,3-Dihydroxy-N-[(E)-3-[(2r,3r,4r,5r)-4-Hydroxy-3-Methyl-5-[6-(Propylamino)purin-9-Yl]oxolan-2-Yl]prop-2-Enyl]benzamide
9H-Purin-6-amine, N-propyl-9-[(5E)-3,5,6,7-tetradeoxy-7-[[(4'-fluoro-4,5-dihydroxy[1,1'-biphenyl]-3-yl)carbonyl]amino]-3-methyl-β-D-xylo-hept-5-enofuranosyl]- [ACD/Index Name]

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

662 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 147.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1025.44
ACD/KOC (pH 5.5): 4935.80
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 785.17
ACD/KOC (pH 7.4): 3779.29
Polar Surface Area: 155 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 387.1±7.0 cm3

Click to predict properties on the Chemicalize site


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