ChemSpider 2D Image | 5-Bromo-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-2,4(1H,3H)-pyrimidinedione | C9H14BrN2O15P3

5-Bromo-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC9H14BrN2O15P3
  • Average mass563.037 Da
  • Monoisotopic mass561.879028 Da
  • ChemSpider ID109057

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-D-ribofuranosyl]- [ACD/Index Name]
5-Brom-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
5-Bromo-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-Bromo-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
[(2R,3S,4R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
21193-64-6 [RN]
3398-50-3 [RN]
5-bromouridine triphosphateromouridine 5'-triphosphate
5-Bromo-utp
5-Br-Utp
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

21193-64-6,3398-50-3 [DBID]

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

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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