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Search term: WOAZCBPWCCREDO-OGPXJPENSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S,3S,4R,5R)-5-{6-Amino-2-[(3R)-3-hydroxy-3-phenyl-1-propyn-1-yl]-9H-purin-9-yl}-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide | C21H22N6O5

(2S,3S,4R,5R)-5-{6-Amino-2-[(3R)-3-hydroxy-3-phenyl-1-propyn-1-yl]-9H-purin-9-yl}-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide

  • Molecular FormulaC21H22N6O5
  • Average mass438.437 Da
  • Monoisotopic mass438.165161 Da
  • ChemSpider ID23317114

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3S,4R,5R)-5-{6-Amino-2-[(3R)-3-hydroxy-3-phenyl-1-propin-1-yl]-9H-purin-9-yl}-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamid [German] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-{6-Amino-2-[(3R)-3-hydroxy-3-phenyl-1-propyn-1-yl]-9H-purin-9-yl}-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-{6-Amino-2-[(3R)-3-hydroxy-3-phényl-1-propyn-1-yl]-9H-purin-9-yl}-N-éthyl-3,4-dihydroxytétrahydro-2-furanecarboxamide [French] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-{6-amino-2-[(3R)-3-hydroxy-3-phenylprop-1-yn-1-yl]-9H-purin-9-yl}-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)
(2S,3S,4R,5R)-5-(6-amino-2-((R)-3-hydroxy-3-phenylprop-1-ynyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide

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: 1.739
Molar Refractivity: 111.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.54
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.27
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.28
Polar Surface Area: 169 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 69.3±7.0 dyne/cm
Molar Volume: 277.5±7.0 cm3

Click to predict properties on the Chemicalize site


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