ChemSpider 2D Image | 3'-O-(2-Aminobenzoyl)adenosine 5'-(tetrahydrogen triphosphate) | C17H21N6O14P3

3'-O-(2-Aminobenzoyl)adenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC17H21N6O14P3
  • Average mass626.302 Da
  • Monoisotopic mass626.032837 Da
  • ChemSpider ID95636841

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3'-O-(2-Aminobenzoyl)adenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
3'-O-(2-Aminobenzoyl)adenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
3'-O-(2-Aminobenzoyl)adénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
Adenosine, 3'-(2-aminobenzoate) 5'-(tetrahydrogen triphosphate) [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1002.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.2±3.0 kJ/mol
Flash Point: 560.0±37.1 °C
Index of Refraction: 1.832
Molar Refractivity: 122.8±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.98
ACD/LogD (pH 5.5): -9.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 341 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 141.3±7.0 dyne/cm
Molar Volume: 279.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement