ChemSpider 2D Image | (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[(1R)-1-(hydroxymethyl)-3-methylsulfanyl-propyl]tetrahydrofuran-2-carboxamide | C15H22N6O5S

(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[(1R)-1-(hydroxymethyl)-3-methylsulfanyl-propyl]tetrahydrofuran-2-carboxamide

  • Molecular FormulaC15H22N6O5S
  • Average mass398.437 Da
  • Monoisotopic mass398.137238 Da
  • ChemSpider ID28655753
  • 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-9H-purin-9-yl)-3,4-dihydroxy-N-[(2R)-1-hydroxy-4-(methylsulfanyl)-2-butanyl]tetrahydro-2-furancarboxamid (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxy-N-[(2R)-1-hydroxy-4-(methylsulfanyl)-2-butanyl]tetrahydro-2-furancarboxamide (non-preferred name) [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxy-N-[(2R)-1-hydroxy-4-(méthylsulfanyl)-2-butanyl]tétrahydro-2-furanecarboxamide (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.786
Molar Refractivity: 94.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.01
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.36
Polar Surface Area: 194 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 81.4±7.0 dyne/cm
Molar Volume: 224.1±7.0 cm3

Click to predict properties on the Chemicalize site






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