ChemSpider 2D Image | 1-(2-Deoxy-D-erythro-pentofuranosyl)-5-(methylsulfanyl)-2(1H)-pyrimidinone | C10H14N2O4S

1-(2-Deoxy-D-erythro-pentofuranosyl)-5-(methylsulfanyl)-2(1H)-pyrimidinone

  • Molecular FormulaC10H14N2O4S
  • Average mass258.294 Da
  • Monoisotopic mass258.067413 Da
  • ChemSpider ID57491976

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-(2-Deoxy-D-erythro-pentofuranosyl)-5-(methylsulfanyl)-2(1H)-pyrimidinone [ACD/IUPAC Name]
1-(2-Desoxy-D-erythro-pentofuranosyl)-5-(methylsulfanyl)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
1-(2-Désoxy-D-érythro-pentofuranosyl)-5-(méthylsulfanyl)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 1-(2-deoxy-D-erythro-pentofuranosyl)-5-(methylthio)- [ACD/Index Name]
75670-13-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 485.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.5±6.0 kJ/mol
Flash Point: 247.3±31.5 °C
Index of Refraction: 1.681
Molar Refractivity: 62.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.36
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.36
Polar Surface Area: 108 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 164.1±7.0 cm3

Click to predict properties on the Chemicalize site


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