ChemSpider 2D Image | 5BrUTP | C9H14BrN2O15P3

5BrUTP

  • Molecular FormulaC9H14BrN2O15P3
  • Average mass563.037 Da
  • Monoisotopic mass561.879028 Da
  • ChemSpider ID8048309
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

3398-50-3 [RN]
5-Bromouridine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
5-Bromouridine 5′-triphosphate
5-bromouridine 5'-triphosphate
5-Bromouridine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
5-Bromuridin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
5BrUTP
Uridine, 5-bromo-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
(((2R,3S,4R,5R)-5-(5-Bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid
[(2R,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 91.0±0.3 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.82
ACD/LogD (pH 5.5): -11.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 288 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 133.0±3.0 dyne/cm
Molar Volume: 242.2±3.0 cm3

Click to predict properties on the Chemicalize site






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