ChemSpider 2D Image | 5'-O-(Hydroxy{[hydroxy({hydroxy[(5-sulfo-1-naphthyl)amino]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)adenosine | C20H23N6O15P3S

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

  • Molecular FormulaC20H23N6O15P3S
  • Average mass712.414 Da
  • Monoisotopic mass712.015503 Da
  • ChemSpider ID168529

  • 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[(5-sulfo-1-naphthyl)amino]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)adenosin [German] [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy({hydroxy[(5-sulfo-1-naphthyl)amino]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)adenosine [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy({hydroxy[(5-sulfo-1-naphtyl)amino]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[hydroxy[[hydroxy[[hydroxy[(5-sulfo-1-naphthalenyl)amino]phosphinyl]oxy]phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
66492-86-2 [RN]
Adenosine triphosphate-1-aminonaphthalene-5-sulfonate
Adenosine-5'-(trihydrogen diphosphate), 5'-P-monoanhydride with 5-(phosphonoamino)-1-naphthalenesulfonic acid
ATP-1-Aminonaphthalene-5-sulfonate
ATP-Ans

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.854
Molar Refractivity: 143.6±0.5 cm3
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.99
ACD/LogD (pH 5.5): -11.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 363 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 138.1±7.0 dyne/cm
Molar Volume: 320.5±7.0 cm3

Click to predict properties on the Chemicalize site


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