ChemSpider 2D Image | 5'-O-{Hydroxy[(hydroxy{[hydroxy({2-[(5-sulfo-1-naphthyl)amino]ethyl}amino)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}adenosine | C22H28N7O15P3S

5'-O-{Hydroxy[(hydroxy{[hydroxy({2-[(5-sulfo-1-naphthyl)amino]ethyl}amino)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}adenosine

  • Molecular FormulaC22H28N7O15P3S
  • Average mass755.482 Da
  • Monoisotopic mass755.057678 Da
  • ChemSpider ID113582

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-{Hydroxy[(hydroxy{[hydroxy({2-[(5-sulfo-1-naphthyl)amino]ethyl}amino)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}adenosin [German] [ACD/IUPAC Name]
5'-O-{Hydroxy[(hydroxy{[hydroxy({2-[(5-sulfo-1-naphthyl)amino]ethyl}amino)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}adenosine [ACD/IUPAC Name]
5'-O-{Hydroxy[(hydroxy{[hydroxy({2-[(5-sulfo-1-naphtyl)amino]éthyl}amino)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[hydroxy[[hydroxy[[hydroxy[[2-[(5-sulfo-1-naphthalenyl)amino]ethyl]amino]phosphinyl]oxy]phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
102415-55-4 [RN]
Adenosine-5'-triphosphoro-γ-1-(5-sulfonic acid)naphthyl ethylamidate
γ-1,5-Edans-ATP

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.823
Molar Refractivity: 155.9±0.5 cm3
#H bond acceptors: 22
#H bond donors: 10
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -3.37
ACD/LogD (pH 5.5): -11.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 375 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 125.6±7.0 dyne/cm
Molar Volume: 357.1±7.0 cm3

Click to predict properties on the Chemicalize site


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