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Sofosbuvir impurity J

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Category Hepatitis C Virus (HCV)
CAS 1334513-10-8
Description Sofosbuvir impurity J is a diastereoisomer and impurity of Sofosbuvir, an inhibitor of HCV RNA replication with strong anti-hepatitis C virus activity.
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Product Information

Synonyms L-Alanine, N-[[P(S),2'R]-2'-deoxy-2'-fluoro-2'-methyl-P-phenyl-5'-cytidylyl]-, 1-Methylethyl ester; N-[[P(S),2'R]-2'-Deoxy-2'-fluoro-2'-methyl-P-phenyl-5'-cytidylyl]-L-alanine 1-methylethyl ester; Isopropyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate
IUPAC Name propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Molecular Weight 528.47
Molecular Formula C22H30FN4O8P
Canonical SMILES CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=NC2=O)N)(C)F)O)OC3=CC=CC=C3
InChI InChI=1S/C22H30FN4O8P/c1-13(2)33-19(29)14(3)26-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)27-11-10-17(24)25-21(27)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,26,31)(H2,24,25,30)/t14-,16+,18+,20+,22+,36-/m0/s1
InChIKey JMTNHBQFZOWQKE-IQWMDFIBSA-N
Boiling Point 651.4±65.0°C at 760 mmHg
Purity ≥95%
Density 1.5±0.1 g/cm3
Solubility Soluble in DMSO
Appearance Solid powder
Storage Store at -20°C
Complexity 928
Exact Mass 528.17852909
Target HCV
XLogP3-AA 0.7

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