ChemSpider 2D Image | 5'-O-(Hydroxy{[(2S)-2-pyrrolidinylcarbonyl]oxy}phosphoryl)adenosine | C15H21N6O8P

5'-O-(Hydroxy{[(2S)-2-pyrrolidinylcarbonyl]oxy}phosphoryl)adenosine

  • Molecular FormulaC15H21N6O8P
  • Average mass444.336 Da
  • Monoisotopic mass444.115845 Da
  • ChemSpider ID25060629
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

5'-O-(Hydroxy{[(2S)-2-pyrrolidinylcarbonyl]oxy}phosphoryl)adenosin [German] [ACD/IUPAC Name]
5'-O-(Hydroxy{[(2S)-2-pyrrolidinylcarbonyl]oxy}phosphoryl)adenosine [ACD/IUPAC Name]
5'-O-(Hydroxy{[(2S)-2-pyrrolidinylcarbonyl]oxy}phosphoryl)adénosine [French] [ACD/IUPAC Name]
5'-O-[(R)-Hydroxy{[(2s)-Pyrrolidin-2-Ylcarbonyl]oxy}phosphoryl]adenosine
Adenosine, 5'-O-[hydroxy[[(2S)-2-pyrrolidinylcarbonyl]oxy]phosphinyl]- [ACD/Index Name]
PR8

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

Density: 2.1±0.1 g/cm3
Boiling Point: 788.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 430.9±35.7 °C
Index of Refraction: 1.848
Molar Refractivity: 94.8±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.72
ACD/LogD (pH 5.5): -4.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 112.8±7.0 dyne/cm
Molar Volume: 212.6±7.0 cm3

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