ChemSpider 2D Image | 3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-5'-TRIPHOSPHATE | C17H21N6O13P3

3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-5'-TRIPHOSPHATE

  • Molecular FormulaC17H21N6O13P3
  • Average mass610.302 Da
  • Monoisotopic mass610.037964 Da
  • ChemSpider ID116090

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-5'-TRIPHOSPHATE
3'-O-(2-Aminobenzoyl)-2'-deoxyadenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
3'-O-(2-Aminobenzoyl)-2'-desoxyadenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
3'-O-(2-Aminobenzoyl)-2'-désoxyadénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
Adenosine, 2'-deoxy-, 3'-(2-aminobenzoate) 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
130996-25-7 [RN]
3'-Anthraniloyl-2'-deoxy-ATP
Adenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-, 3'-(2-aminobenzoate)
Ant-datp
Ant-deoxy-ATP

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

Density: 2.2±0.1 g/cm3
Boiling Point: 945.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.1±3.0 kJ/mol
Flash Point: 525.3±37.1 °C
Index of Refraction: 1.813
Molar Refractivity: 122.0±0.5 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.35
ACD/LogD (pH 5.5): -9.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 320 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 132.6±7.0 dyne/cm
Molar Volume: 282.1±7.0 cm3

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