ChemSpider 2D Image | N-(4-Acetamidobenzyl)adenosine 5'-(dihydrogen phosphate) | C19H23N6O8P

N-(4-Acetamidobenzyl)adenosine 5'-(dihydrogen phosphate)

  • Molecular FormulaC19H23N6O8P
  • Average mass494.395 Da
  • Monoisotopic mass494.131500 Da
  • ChemSpider ID57540749
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

Adenosine, N-[[4-(acetylamino)phenyl]methyl]-, 5'-(dihydrogen phosphate) [ACD/Index Name]
N-(4-Acetamidobenzyl)adenosin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
N-(4-Acetamidobenzyl)adenosine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
N-(4-Acétamidobenzyl)adénosine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
((2R,3S,4R,5R)-5-(6-((4-Acetamidobenzyl)amino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
63554-92-7 [RN]
N-[(4-Acetamidophenyl)methyl]adenosine 5'-(dihydrogen phosphate)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.766
Molar Refractivity: 113.7±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -4.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 87.1±7.0 dyne/cm
Molar Volume: 274.6±7.0 cm3

Click to predict properties on the Chemicalize site






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