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Chemical structure of Sofosbuvir impurity K

GC30522

Sofosbuvir impurity K

Also known as propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

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

ChemicalCAS1496552-51-2MW545.91FormulaC22H29ClN3O9P
CAS number
1496552-51-2
Molecular weight
545.91
Formula
C22H29ClN3O9P
Solubility
DMSO ： 100 mg/mL (183·18 mM; Need ultrasonic)
InChIKey
SFPFZQKYPOWCSI-IAAJYNJHSA-N
Catalogue number
GC30522
Brand
GLPBIO
Computed properties PubChem CID 117663091 · XLogP 1.2 · TPSA 153 Ų · H-bond donors 3
XLogP
1.2
TPSA
153 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
36

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)Cl)O)OC3=CC=CC=C3

Computed descriptors from PubChem (CID 117663091), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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