ChemSpider 2D Image | 5-iododeoxycytidine triphosphate | C9H15IN3O13P3

5-iododeoxycytidine triphosphate

  • Molecular FormulaC9H15IN3O13P3
  • Average mass593.054 Da
  • Monoisotopic mass592.886230 Da
  • ChemSpider ID58854

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2'-Deoxy-5-iodocytidine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
2'-Desoxy-5-iodcytidin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
2'-Désoxy-5-iodocytidine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
31747-59-8 [RN]
5-iododeoxycytidine triphosphate
Cytidine, 2'-deoxy-5-iodo-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
((2R,3S,5R)-5-(4-Amino-5-iodo-2-oxopyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate
5-iodo-2'-deoxycytidine-5'-triphosphate
5-Iodocytosine deoxyribonucleoside triphosphate
5-iodo-dCTP
More...
  • Miscellaneous

    • Chemical Class:

      A 2'-deoxycytidine phosphate that is 2'-deoxycytidine-5'-triphosphate in which the hydrogen at position 5 on the cytosine ring is replaced by iodine. ChEBI CHEBI:86351

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

Density: 2.8±0.1 g/cm3
Boiling Point: 822.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.1±6.0 kJ/mol
Flash Point: 451.5±37.1 °C
Index of Refraction: 1.839
Molar Refractivity: 94.3±0.5 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.88
ACD/LogD (pH 5.5): -11.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 277 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 162.2±7.0 dyne/cm
Molar Volume: 213.1±7.0 cm3

Click to predict properties on the Chemicalize site


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