ChemSpider 2D Image | 8-Bromo-5'-{[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]amino}-5'-deoxyadenosine | C16H19BrN6O9

8-Bromo-5'-{[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]amino}-5'-deoxyadenosine

  • Molecular FormulaC16H19BrN6O9
  • Average mass519.261 Da
  • Monoisotopic mass518.039673 Da
  • ChemSpider ID35035526

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

8-Brom-5'-{[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]amino}-5'-desoxyadenosin [German] [ACD/IUPAC Name]
8-Bromo-5'-{[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]amino}-5'-deoxyadenosine [ACD/IUPAC Name]
8-Bromo-5'-{[3-carboxy-2-(carboxyméthyl)-2-hydroxypropanoyl]amino}-5'-désoxyadénosine [French] [ACD/IUPAC Name]
Adenosine, 8-bromo-5'-[[3-carboxy-2-(carboxymethyl)-2-hydroxy-1-oxopropyl]amino]-5'-deoxy- [ACD/Index Name]
5CI

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.836
Molar Refractivity: 103.0±0.5 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.06
ACD/LogD (pH 5.5): -4.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 243 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 107.1±7.0 dyne/cm
Molar Volume: 233.5±7.0 cm3

Click to predict properties on the Chemicalize site


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