ChemSpider 2D Image | 8-Bromo-ATP | C10H15BrN5O13P3

8-Bromo-ATP

  • Molecular FormulaC10H15BrN5O13P3
  • Average mass586.077 Da
  • Monoisotopic mass584.906250 Da
  • ChemSpider ID10448603

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

23567-97-7 [RN]
8-Bromadenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
8-Bromoadenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
8-Bromoadénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
8-Bromo-ATP
Adenosine, 8-bromo-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
81035-56-5 [RN]
8-Bromoadenosine- 5'- O- triphosphate ( 8-Br-ATP )
8-Bromoadenosine 5'-triphosphate

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

Density: 2.9±0.1 g/cm3
Boiling Point: 983.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.1±3.0 kJ/mol
Flash Point: 548.3±37.1 °C
Index of Refraction: 1.928
Molar Refractivity: 97.4±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.34
ACD/LogD (pH 5.5): -10.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 193.9±7.0 dyne/cm
Molar Volume: 204.9±7.0 cm3

Click to predict properties on the Chemicalize site


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