ChemSpider 2D Image | 5'-O-{[({3-[4-(Bromoacetyl)-1-pyridiniumyl]propoxy}phosphinato)oxy](hydroxy)phosphoryl}adenosine | C20H25BrN6O11P2

5'-O-{[({3-[4-(Bromoacetyl)-1-pyridiniumyl]propoxy}phosphinato)oxy](hydroxy)phosphoryl}adenosine

  • Molecular FormulaC20H25BrN6O11P2
  • Average mass667.298 Da
  • Monoisotopic mass666.023987 Da
  • ChemSpider ID167679

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

36097-68-4 [RN]
5'-O-{[({3-[4-(2-Bromoacétyl)-1-pyridiniumyl]propoxy}phosphinato)oxy](hydroxy)phosphoryl}adénosine [French] [ACD/IUPAC Name]
5'-O-{[({3-[4-(Bromacetyl)-1-pyridiniumyl]propoxy}phosphinato)oxy](hydroxy)phosphoryl}adenosin [German] [ACD/IUPAC Name]
5'-O-{[({3-[4-(Bromoacetyl)-1-pyridiniumyl]propoxy}phosphinato)oxy](hydroxy)phosphoryl}adenosine [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[3-[4-(2-bromoacetyl)pyridinio]propoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, inner salt [ACD/Index Name]
5'-o-{[({3-[4-(bromoacetyl)pyridinium-1-yl]propoxy}phosphinato)oxy](hydroxy)phosphoryl}adenosine
Adenosine 5'-(trihydrogen diphosphate), mono(3-(4-(bromoacetyl)pyridinio)propyl) ester, hydroxide, inner salt

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -6.64
ACD/LogD (pH 5.5): -6.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 265 Å2
Polarizability:
Surface Tension:
Molar Volume:

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