ChemSpider 2D Image | 4-(Methylsulfanyl)-7-(D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine | C12H15N3O4S

4-(Methylsulfanyl)-7-(D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine

  • Molecular FormulaC12H15N3O4S
  • Average mass297.330 Da
  • Monoisotopic mass297.078339 Da
  • ChemSpider ID24653449
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

4-(Methylsulfanyl)-7-(D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
4-(Methylsulfanyl)-7-(D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine [ACD/IUPAC Name]
4-(Méthylsulfanyl)-7-(D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine, 4-(methylthio)-7-D-ribofuranosyl- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 615.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 325.8±31.5 °C
Index of Refraction: 1.772
Molar Refractivity: 71.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.64
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.42
Polar Surface Area: 126 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 73.5±7.0 dyne/cm
Molar Volume: 172.5±7.0 cm3

Click to predict properties on the Chemicalize site






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