ChemSpider 2D Image | Ethyl N-[(S)-({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydro-2-furanyl]oxy}methyl)(phenoxy)phosphoryl]-L-alaninate | C21H24FN6O6P

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

  • Molecular FormulaC21H24FN6O6P
  • Average mass506.424 Da
  • Monoisotopic mass506.147888 Da
  • ChemSpider ID13100349

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Ethyl N-[(S)-({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydro-2-furanyl]oxy}methyl)(phenoxy)phosphoryl]-L-alaninate [ACD/IUPAC Name]
Ethyl-N-[(S)-({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluor-2,5-dihydro-2-furanyl]oxy}methyl)(phenoxy)phosphoryl]-L-alaninat [German] [ACD/IUPAC Name]
L-Alanine, N-[(S)-[(1S)-[[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydro-2-furanyl]oxy]methyl]phenoxyphosphinyl]-, ethyl ester [ACD/Index Name]
N-[(S)-({[(2R,5R)-5-(6-Amino-9H-purin-9-yl)-4-fluoro-2,5-dihydro-2-furanyl]oxy}méthyl)(phénoxy)phosphoryl]-L-alaninate d'éthyle [French] [ACD/IUPAC Name]
912809-27-9 [RN]
Rovafovir etalafenamide [INN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 699.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 377.0±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 120.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.13
ACD/KOC (pH 5.5): 274.68
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.66
ACD/KOC (pH 7.4): 282.63
Polar Surface Area: 163 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 324.7±7.0 cm3

Click to predict properties on the Chemicalize site


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