ChemSpider 2D Image | Methyl N-[{[3-(6-amino-9H-purin-9-yl)-4-fluoro-5-hydroxy-2-methylenecyclopentyl]methoxy}(phenoxy)phosphoryl]-L-alaninate | C22H26FN6O6P

Methyl N-[{[3-(6-amino-9H-purin-9-yl)-4-fluoro-5-hydroxy-2-methylenecyclopentyl]methoxy}(phenoxy)phosphoryl]-L-alaninate

  • Molecular FormulaC22H26FN6O6P
  • Average mass520.451 Da
  • Monoisotopic mass520.163574 Da
  • ChemSpider ID34526960
  • defined stereocentres - 1 of 6 defined stereocentres


More details:






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

L-Alanine, N-[[[3-(6-amino-9H-purin-9-yl)-4-fluoro-5-hydroxy-2-methylenecyclopentyl]methoxy]phenoxyphosphinyl]-, methyl ester [ACD/Index Name]
Methyl N-[{[3-(6-amino-9H-purin-9-yl)-4-fluoro-5-hydroxy-2-methylenecyclopentyl]methoxy}(phenoxy)phosphoryl]-L-alaninate [ACD/IUPAC Name]
Methyl-N-[{[3-(6-amino-9H-purin-9-yl)-4-fluor-5-hydroxy-2-methylencyclopentyl]methoxy}(phenoxy)phosphoryl]-L-alaninat [German] [ACD/IUPAC Name]
N-[{[3-(6-Amino-9H-purin-9-yl)-4-fluoro-5-hydroxy-2-méthylènecyclopentyl]méthoxy}(phénoxy)phosphoryl]-L-alaninate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 703.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 379.5±35.7 °C
Index of Refraction: 1.678
Molar Refractivity: 124.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.89
ACD/KOC (pH 5.5): 149.39
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.51
ACD/KOC (pH 7.4): 161.11
Polar Surface Area: 174 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 62.4±7.0 dyne/cm
Molar Volume: 330.6±7.0 cm3

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