ChemSpider 2D Image | 5'-O-[{[(2S)-2-Amino-3-carboxypropanoyl]oxy}(hydroxy)phosphoryl]adenosine | C14H19N6O10P

5'-O-[{[(2S)-2-Amino-3-carboxypropanoyl]oxy}(hydroxy)phosphoryl]adenosine

  • Molecular FormulaC14H19N6O10P
  • Average mass462.309 Da
  • Monoisotopic mass462.090027 Da
  • ChemSpider ID34537393

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

5'-O-[{[(2S)-2-Amino-3-carboxypropanoyl]oxy}(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[{[(2S)-2-Amino-3-carboxypropanoyl]oxy}(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[{[(2S)-2-Amino-3-carboxypropanoyl]oxy}(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[(2S)-2-amino-3-carboxy-1-oxopropoxy]hydroxyphosphinyl]- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 856.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.3±3.0 kJ/mol
Flash Point: 471.5±37.1 °C
Index of Refraction: 1.835
Molar Refractivity: 93.4±0.5 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.71
ACD/LogD (pH 5.5): -5.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 265 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 125.1±7.0 dyne/cm
Molar Volume: 211.6±7.0 cm3

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