ChemSpider 2D Image | Isopropyl N-[({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydro-2-furanyl]oxy}methyl)(phenoxy)phosphoryl]alaninate | C22H26FN6O6P

Isopropyl N-[({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydro-2-furanyl]oxy}methyl)(phenoxy)phosphoryl]alaninate

  • Molecular FormulaC22H26FN6O6P
  • Average mass520.451 Da
  • Monoisotopic mass520.163574 Da
  • ChemSpider ID34543408

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

Alanine, N-[[[[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydro-2-furanyl]oxy]methyl]phenoxyphosphinyl]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl N-[({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydro-2-furanyl]oxy}methyl)(phenoxy)phosphoryl]alaninate [ACD/IUPAC Name]
Isopropyl-N-[({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluor-2,5-dihydro-2-furanyl]oxy}methyl)(phenoxy)phosphoryl]alaninat [German] [ACD/IUPAC Name]
N-[({[(2R,5R)-5-(6-Amino-9H-purin-9-yl)-4-fluoro-2,5-dihydro-2-furanyl]oxy}méthyl)(phénoxy)phosphoryl]alaninate d'isopropyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 700.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.3±35.7 °C
Index of Refraction: 1.659
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.95
ACD/KOC (pH 5.5): 483.53
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.11
ACD/KOC (pH 7.4): 497.52
Polar Surface Area: 163 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 339.9±7.0 cm3

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