ChemSpider 2D Image | Isopropyl (2S)-2-{[{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-2-(hydroxymethyl)-4-methyltetrahydro-3-furanyl]oxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name) | C22H29FN3O9P

Isopropyl (2S)-2-{[{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-2-(hydroxymethyl)-4-methyltetrahydro-3-furanyl]oxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name)

  • Molecular FormulaC22H29FN3O9P
  • Average mass529.453 Da
  • Monoisotopic mass529.162537 Da
  • ChemSpider ID48063134
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

(2S)-2-{[{[(2R,3R,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-2-(hydroxyméthyl)-4-méthyltétrahydro-3-furanyl]oxy}(phénoxy)phosphoryl]amino}propanoate d'isopropyle (non-preferred name) [French] [ACD/IUPAC Name]
Isopropyl (2S)-2-{[{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-2-(hydroxymethyl)-4-methyltetrahydro-3-furanyl]oxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name) [ACD/IUPAC Name]
Isopropyl-(2S)-2-{[{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluor-2-(hydroxymethyl)-4-methyltetrahydro-3-furanyl]oxy}(phenoxy)phosphoryl]amino}propanoat (non-preferred name) [German] [ACD/IUPAC Name]
Uridine, 2'-deoxy-2'-fluoro-2'-methyl-3'-O-[[[(1S)-1-methyl-2-(1-methylethoxy)-2-oxoethyl]amino]phenoxyphosphinyl]- [ACD/Index Name]
1256490-28-4 [RN]
1337482-15-1 [RN]
propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-phenoxyphosphoryl]amino]propanoate
Sofosbuvir Impurity C

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.573
Molar Refractivity: 123.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.87
ACD/KOC (pH 5.5): 54.52
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.85
ACD/KOC (pH 7.4): 53.98
Polar Surface Area: 163 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 374.6±5.0 cm3

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