ChemSpider 2D Image | N-{4-[(Bromoacetyl)amino]benzyl}adenosine 5'-(dihydrogen phosphate) | C19H22BrN6O8P

N-{4-[(Bromoacetyl)amino]benzyl}adenosine 5'-(dihydrogen phosphate)

  • Molecular FormulaC19H22BrN6O8P
  • Average mass573.291 Da
  • Monoisotopic mass572.041992 Da
  • ChemSpider ID166424

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Adenosine, N-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-, 5'-(dihydrogen phosphate) [ACD/Index Name]
N-{4-[(2-Bromoacétyl)amino]benzyl}adénosine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
N-{4-[(Bromacetyl)amino]benzyl}adenosin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
N-{4-[(Bromoacetyl)amino]benzyl}adenosine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
5'-Adenylic acid, N-((4-((bromoacetyl)amino)phenyl)methyl)-
63074-11-3 [RN]
N(6)-(4-Bromoacetaminobenzyl)-adenosine monophosphate
N(6)-(4-Bromoacetaminobenzyl)-amp
N(6)-(p-Bromoacetaminobenzyl)-amp

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.785
Molar Refractivity: 121.4±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.41
ACD/LogD (pH 5.5): -3.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 91.2±7.0 dyne/cm
Molar Volume: 288.0±7.0 cm3

Click to predict properties on the Chemicalize site


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