ChemSpider 2D Image | 9-(5-S-Ethyl-5-thio-D-ribofuranosyl)-9H-purin-6-amine | C12H17N5O3S

9-(5-S-Ethyl-5-thio-D-ribofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC12H17N5O3S
  • Average mass311.360 Da
  • Monoisotopic mass311.105194 Da
  • ChemSpider ID24658176
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

9-(5-S-Ethyl-5-thio-D-ribofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(5-S-Ethyl-5-thio-D-ribofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-(5-S-Éthyl-5-thio-D-ribofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-(5-S-ethyl-5-thio-D-ribofuranosyl)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 639.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 340.3±34.3 °C
Index of Refraction: 1.806
Molar Refractivity: 76.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 35.20
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.07
ACD/KOC (pH 7.4): 36.46
Polar Surface Area: 145 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 78.7±7.0 dyne/cm
Molar Volume: 176.7±7.0 cm3

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