ChemSpider 2D Image | 5'-O-{[(4-Chlorobenzoyl)oxy](hydroxy)phosphoryl}adenosine | C17H17ClN5O8P

5'-O-{[(4-Chlorobenzoyl)oxy](hydroxy)phosphoryl}adenosine

  • Molecular FormulaC17H17ClN5O8P
  • Average mass485.772 Da
  • Monoisotopic mass485.050323 Da
  • ChemSpider ID25059184
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

5'-O-[(S)-{[(4-Chlorophenyl)carbonyl]oxy}(Hydroxy)phosphoryl]adenosine
5'-O-{[(4-Chlorbenzoyl)oxy](hydroxy)phosphoryl}adenosin [German] [ACD/IUPAC Name]
5'-O-{[(4-Chlorobenzoyl)oxy](hydroxy)phosphoryl}adenosine [ACD/IUPAC Name]
5'-O-{[(4-Chlorobenzoyl)oxy](hydroxy)phosphoryl}adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[(4-chlorobenzoyl)oxy]hydroxyphosphinyl]- [ACD/Index Name]
00A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 813.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.9±3.0 kJ/mol
Flash Point: 445.6±37.1 °C
Index of Refraction: 1.790
Molar Refractivity: 105.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.08
ACD/LogD (pH 5.5): -3.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 95.4±7.0 dyne/cm
Molar Volume: 249.3±7.0 cm3

Click to predict properties on the Chemicalize site






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