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Chemical structure of Sofosbuvir impurity F

GC30539

Sofosbuvir impurity F

Also known as propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyl-3-[[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxyphosphoryl]oxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Sofosbuvir impurity F, an diastereoisomer of Sofosbuvir, is the impurity of Sofosbuvir

ChemicalCAS1337482-17-3MW798.69FormulaC34H45FN4O13P2
CAS number
1337482-17-3
Molecular weight
798.69
Formula
C34H45FN4O13P2
Solubility
DMSO ： 100 mg/mL (125·21 mM; Need ultrasonic)
InChIKey
WVORGVRHMQFKTN-ACVYKXDBSA-N
Catalogue number
GC30539
Brand
GLPBIO
Computed properties PubChem CID 58463501 · XLogP 3.6 · TPSA 206 Ų · H-bond donors 3
XLogP
3.6
TPSA
206 Ų
H-bond donors
3
H-bond acceptors
16
Rotatable bonds
20
Heavy atoms
54

SMILES C[C@@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)OP(=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3)OC4=CC=CC=C4

Computed descriptors from PubChem (CID 58463501), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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