Identität

Sofosbuvir Impurity 111

Nicht angegeben · C24H22N2O8

01Identität

Lazychem ID	LC-36371
CAS RN	Nicht angegeben
PubChem CID	102081800
Molecular formula	C24H22N2O8
Molecular weight	466.4 g/mol
IUPAC name	[(2R,3R,4R,5R)-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methyloxolan-2-yl]methyl benzoate
InChIKey	SYOIECTUIXEQLV-PDKZGUECSA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Sofosbuvir Impurity 111 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	4
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O
InChI	Nicht angegeben

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.