ChemSpider 2D Image | 3'-O-1-Naphthoyladenosine 5'-(tetrahydrogen triphosphate) | C21H22N5O14P3

3'-O-1-Naphthoyladenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC21H22N5O14P3
  • Average mass661.346 Da
  • Monoisotopic mass661.037598 Da
  • ChemSpider ID164886
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

3'-O-1-Naphthoyladenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
3'-O-1-Naphthoyladenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
3'-O-1-Naphtoyladénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
Adenosine, 3'-O-(1-naphthalenylcarbonyl)-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
3-NP-ATP
3'-O-Naphthoyladenosine 5'-triphosphate
76152-01-7 [RN]
Adenosine 5'-(tetrahydrogen triphosphate), 3'-(1-naphthalenecarboxylate)
Naphthoyl-ATP

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

Density: 2.1±0.1 g/cm3
Boiling Point: 1015.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.4±3.0 kJ/mol
Flash Point: 568.2±37.1 °C
Index of Refraction: 1.806
Molar Refractivity: 136.8±0.5 cm3
#H bond acceptors: 19
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.59
ACD/LogD (pH 5.5): -8.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 315 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 121.1±7.0 dyne/cm
Molar Volume: 318.2±7.0 cm3

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