ChemSpider 2D Image | 5'-O-[{[{[{[(4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxy-4,5-dihydro-2-furanyl]methoxy}(hydroxy)phosphoryl]amino}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine | C20H26N11O15P3

5'-O-[{[{[{[(4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxy-4,5-dihydro-2-furanyl]methoxy}(hydroxy)phosphoryl]amino}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine

  • Molecular FormulaC20H26N11O15P3
  • Average mass753.406 Da
  • Monoisotopic mass753.082275 Da
  • ChemSpider ID170295
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

5'-O-[{[{[{[(4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxy-4,5-dihydro-2-furanyl]methoxy}(hydroxy)phosphoryl]amino}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[{[{[{[(4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxy-4,5-dihydro-2-furanyl]methoxy}(hydroxy)phosphoryl]amino}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[{[{[{[(4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxy-4,5-dihydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]amino}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[[[[(4R,5R)-5-(6-amino-9H-purin-9-yl)-4,5-dihydro-3,4-dihydroxy-2-furanyl]methoxy]hydroxyphosphinyl]amino]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
5'-Adenylic acid, monoanhydride with imidodiphosphoric acid, 3'-(4-((4-azido-2-nitrophenyl)amino)butanoate)
84625-58-1 [RN]
N-4-Azido 2-nitrophenyl γ-aminobutyryl-5-adenylyl imidodiphosphate
Nap(4)-adoppnhp
Nap(4)-ppnhp

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1198.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 186.1±3.0 kJ/mol
Flash Point: 678.4±37.1 °C
Index of Refraction: 2.002
Molar Refractivity: 148.6±0.5 cm3
#H bond acceptors: 26
#H bond donors: 12
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -3.68
ACD/LogD (pH 5.5): -10.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 420 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 180.5±7.0 dyne/cm
Molar Volume: 296.8±7.0 cm3

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