ChemSpider 2D Image | 5'-O-[({[Dibromo(phosphonato)methyl]phosphinato}oxy)phosphinato]-N,N-diethyladenosine | C15H20Br2N5O12P3

5'-O-[({[Dibromo(phosphonato)methyl]phosphinato}oxy)phosphinato]-N,N-diethyladenosine

  • Molecular FormulaC15H20Br2N5O12P3
  • Average mass715.077 Da
  • Monoisotopic mass712.870972 Da
  • ChemSpider ID34891744

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[({[Dibrom(phosphonato)methyl]phosphinato}oxy)phosphinato]-N,N-diethyladenosin [German] [ACD/IUPAC Name]
5'-O-[({[Dibromo(phosphonato)methyl]phosphinato}oxy)phosphinato]-N,N-diethyladenosine [ACD/IUPAC Name]
5'-O-[({[Dibromo(phosphonato)méthyl]phosphinato}oxy)phosphinato]-N,N-diéthyladénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[(dibromophosphonomethyl)hydroxyphosphinyl]oxy]hydroxyphosphinyl]-N,N-diethyl-, ion(4-) [ACD/Index Name]
CHEMBL223145

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

Density:
Boiling Point: 879.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.9±3.0 kJ/mol
Flash Point: 485.7±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.01
ACD/LogD (pH 5.5): -7.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 288 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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