ChemSpider 2D Image | 8-bromo-5'-O-phosphonatoadenosine | C10H11BrN5O7P

8-bromo-5'-O-phosphonatoadenosine

  • Molecular FormulaC10H11BrN5O7P
  • Average mass424.103 Da
  • Monoisotopic mass422.959045 Da
  • ChemSpider ID23254968

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

8-bromo-5'-O-phosphonatoadenosine
adenosine, 8-bromo-, 5'-(dihydrogen phosphate), ion(2-)
23567-96-6 [RN]
adenosine 5'-monophosphate, 8-bromo-

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

Density:
Boiling Point: 834.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.2±3.0 kJ/mol
Flash Point: 458.7±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -5.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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