ChemSpider 2D Image | 2'-Deoxy-5-iodocytidine | C9H12IN3O4

2'-Deoxy-5-iodocytidine

  • Molecular FormulaC9H12IN3O4
  • Average mass353.114 Da
  • Monoisotopic mass352.987244 Da
  • ChemSpider ID35518814

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2'-Deoxy-5-iodocytidine [ACD/IUPAC Name]
2'-Desoxy-5-iodcytidin [German] [ACD/IUPAC Name]
2'-Désoxy-5-iodocytidine [French] [ACD/IUPAC Name]
Cytidine, 2'-deoxy-5-iodo- [ACD/Index Name]
2'-Deoxy-5-iodocytidine|Ibacitabine
4-Amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidin-2(1H)-one
5-Iodo-2'-deoxycytidine
611-53-0 [RN]
Ibacitabine [INN] [Wiki]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 522.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.5±6.0 kJ/mol
Flash Point: 269.6±32.9 °C
Index of Refraction: 1.815
Molar Refractivity: 64.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.93
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.94
Polar Surface Area: 108 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 85.4±7.0 dyne/cm
Molar Volume: 148.8±7.0 cm3

Click to predict properties on the Chemicalize site


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