ChemSpider 2D Image | 2'-Deoxy-5-(1-propyn-1-yl)cytidine | C12H15N3O4

2'-Deoxy-5-(1-propyn-1-yl)cytidine

  • Molecular FormulaC12H15N3O4
  • Average mass265.265 Da
  • Monoisotopic mass265.106262 Da
  • ChemSpider ID22937980
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

2'-Deoxy-5-(1-propyn-1-yl)cytidine [ACD/IUPAC Name]
2'-Desoxy-5-(1-propin-1-yl)cytidin [German] [ACD/IUPAC Name]
2'-Désoxy-5-(1-propyn-1-yl)cytidine [French] [ACD/IUPAC Name]
Cytidine, 2'-deoxy-5-(1-propyn-1-yl)- [ACD/Index Name]
117693-24-0 [RN]
2'-deoxy-5-propynylcytidine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 509.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.8±6.0 kJ/mol
Flash Point: 261.8±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 65.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.07
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.60
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.66
Polar Surface Area: 108 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 178.6±7.0 cm3

Click to predict properties on the Chemicalize site






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