ChemSpider 2D Image | 2'-Deoxy-5-(2-pyridinylethynyl)cytidine | C16H16N4O4

2'-Deoxy-5-(2-pyridinylethynyl)cytidine

  • Molecular FormulaC16H16N4O4
  • Average mass328.323 Da
  • Monoisotopic mass328.117157 Da
  • ChemSpider ID25054482

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2'-Deoxy-5-(2-pyridinylethynyl)cytidine [ACD/IUPAC Name]
2'-Desoxy-5-(2-pyridinylethinyl)cytidin [German] [ACD/IUPAC Name]
2'-Désoxy-5-(2-pyridinyléthynyl)cytidine [French] [ACD/IUPAC Name]
Cytidine, 2'-deoxy-5-[2-(2-pyridinyl)ethynyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 600.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 316.8±34.3 °C
Index of Refraction: 1.695
Molar Refractivity: 84.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.19
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.61
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.64
Polar Surface Area: 121 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 65.1±7.0 dyne/cm
Molar Volume: 220.0±7.0 cm3

Click to predict properties on the Chemicalize site


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