ChemSpider 2D Image | 2'-Deoxy-2'-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)adenosine 5'-(tetrahydrogen triphosphate) | C22H28N7O14P3S

2'-Deoxy-2'-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)adenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC22H28N7O14P3S
  • Average mass739.482 Da
  • Monoisotopic mass739.062805 Da
  • ChemSpider ID169995

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2'-Deoxy-2'-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)adenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
2'-Desoxy-2'-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)adenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
2'-Désoxy-2'-({[5-(diméthylamino)-1-naphtyl]sulfonyl}amino)adénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
Adenosine, 2'-deoxy-2'-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
(((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-(5-(dimethylamino)naphthalene-1-sulfonamido)-3-hydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid
2'-(5-Dimethylaminonaphthalene-1-sulfonyl)amino-2'-deoxy-ATP
80214-45-5 [RN]
Adenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-2'-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)-
Dansylamino deoxy-adenosine triphosphate
Dansylamino deoxy-ATP
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point: 1058.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.4±3.0 kJ/mol
Flash Point: 594.0±37.1 °C
Index of Refraction: 1.799
Molar Refractivity: 155.6±0.5 cm3
#H bond acceptors: 21
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.71
ACD/LogD (pH 5.5): -9.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 346 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 113.6±7.0 dyne/cm
Molar Volume: 364.3±7.0 cm3

Click to predict properties on the Chemicalize site


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