ChemSpider 2D Image | N-[(E)-3-[(2r,3s,4r,5r)-5-(6-Ethylaminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]prop-2-Enyl]-5-(4-Fluorophenyl)-2,3-Dihydroxy-Benzamide | C27H27FN6O6

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

  • Molecular FormulaC27H27FN6O6
  • Average mass550.538 Da
  • Monoisotopic mass550.197632 Da
  • ChemSpider ID25059137

  • 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-Purin-6-amine, N-ethyl-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-[(2E)-3-{(2R,3S,4R,5R)-5-[6-(Ethylamino)-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furanyl}-2-propen-1-yl]-4'-fluor-4,5-dihydroxy-3-biphenylcarboxamid [German] [ACD/IUPAC Name]
N-[(2E)-3-{(2R,3S,4R,5R)-5-[6-(Ethylamino)-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furanyl}-2-propen-1-yl]-4'-fluoro-4,5-dihydroxy-3-biphenylcarboxamide [ACD/IUPAC Name]
N-[(2E)-3-{(2R,3S,4R,5R)-5-[6-(Éthylamino)-9H-purin-9-yl]-3,4-dihydroxytétrahydro-2-furanyl}-2-propén-1-yl]-4'-fluoro-4,5-dihydroxy-3-biphénylcarboxamide [French] [ACD/IUPAC Name]
N-[(E)-3-[(2r,3s,4r,5r)-5-(6-Ethylaminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]prop-2-Enyl]-5-(4-Fluorophenyl)-2,3-Dihydroxy-Benzamide

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

619 [DBID]

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: 1.715
Molar Refractivity: 138.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 17.87
ACD/KOC (pH 5.5): 161.52
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 80.08
ACD/KOC (pH 7.4): 723.66
Polar Surface Area: 175 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 353.1±7.0 cm3

Click to predict properties on the Chemicalize site


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