ChemSpider 2D Image | (2S,3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furancarboxamide | C10H12N6O4

(2S,3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furancarboxamide

  • Molecular FormulaC10H12N6O4
  • Average mass280.240 Da
  • Monoisotopic mass280.092010 Da
  • ChemSpider ID24678122
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(2S,3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furancarboxamid [German] [ACD/IUPAC Name]
(2S,3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furancarboxamide [ACD/IUPAC Name]
(2S,3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanecarboxamide [French] [ACD/IUPAC Name]
Adenosine 5'-carboxamide

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

Density: 2.2±0.1 g/cm3
Boiling Point: 800.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 438.1±37.1 °C
Index of Refraction: 1.986
Molar Refractivity: 61.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -1.20
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.29
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.41
Polar Surface Area: 162 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 127.6±7.0 dyne/cm
Molar Volume: 124.9±7.0 cm3

Click to predict properties on the Chemicalize site






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