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

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

  • Molecular FormulaC22H29FN3O9P
  • Average mass529.453 Da
  • Monoisotopic mass529.162537 Da
  • ChemSpider ID68025676
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2S)-2-{[(S)-{[(2S,3S,4S,5S)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-méthyltétrahydro-2-furanyl]méthoxy}(phénoxy)phosphoryl]amino}propanoate d'isopropyle (non-preferred name) [French] [ACD/IUPAC Name]
Isopropyl (2S)-2-{[(S)-{[(2S,3S,4S,5S)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name) [ACD/IUPAC Name]
Isopropyl-(2S)-2-{[(S)-{[(2S,3S,4S,5S)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluor-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoat (non-preferred name) [German] [ACD/IUPAC Name]
Sofosbuvir Impurity C
Sofosbuvir Impurity D

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: 1.62
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 2.07
ACD/KOC (pH 5.5): 58.64
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 2.05
ACD/KOC (pH 7.4): 58.01
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

Click to predict properties on the Chemicalize site






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