ChemSpider 2D Image | Sofosbuvir | C22H29FN3O9P


  • Molecular FormulaC22H29FN3O9P
  • Average mass529.453 Da
  • Monoisotopic mass529.162537 Da
  • ChemSpider ID26286922
  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Featured data source

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(2S)-2-{[(S)-{[(2R,3R,4R,5R)-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 [French] [ACD/IUPAC Name]
1190307-88-0 [RN]
Isopropyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate [ACD/IUPAC Name]
Isopropyl-(2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluor-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoat [German] [ACD/IUPAC Name]
Sofosbuvir [INN] [Wiki]
Sofosbuvir [Spanish] [INN]
Sofosbuvir [French] [INN]
Sofosbuvirum [Latin] [INN]
Sovaldi [Trade name]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A nucleotide conjugate that is used in combination with ledipasvir (under the trade name Harvoni) for the treatment of chronic hepatitis C genotype 1 infection. ChEBI CHEBI:85083
    • Bio Activity:

      Anti-infection MedChem Express HY-15005
      Anti-infection; MedChem Express HY-15005
      HCV MedChem Express HY-15005
      PSI-7977(sofosbuvir) is an investigational nucleotide analog for treatment of chronic HCV infection. MedChem Express, HY-15005
      PSI-7977(sofosbuvir) is an investigational nucleotide analog for treatment of chronic HCV infection. ;IC50 Value:;Target: HCVPSI-7851 is a mixture of two similar molecules, PSI-7976 and PSI-7977, which exist in PSI-7851 as isomers of each other. Once inside a liver cell, both molecules are rapidly converted to the same active triphosphate. Given the ability to more easily manufacture PSI-7977, and potentially advantageous in vitro characteristics, PSI-7977 was selected for further clinical development. Antiviral agent. MedChem Express HY-15005

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

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