Identita

Sofosbuvir impurity F

Neuvedeno · C34H45FN4O13P2

01Identita

Lazychem ID	LC-39698
CAS RN	Neuvedeno
PubChem CID	58463501
Molecular formula	C34H45FN4O13P2
Molecular weight	798.7 g/mol
IUPAC name	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
InChIKey	WVORGVRHMQFKTN-ACVYKXDBSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Sofosbuvir impurity F — 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 6 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	6
Ring count	4
Secondary amines	0
Tertiary amines	0

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
InChI	Neuvedeno

03Stereochemistry

The published structure contains 6 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned

Unassigned centres2Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 256Before symmetry reduction

Published same-connectivity configurations

2 records

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.