Identiteet

Sofosbuvir Impurity 48

Pole loetletud · C34H45FN4O13P2

01Identiteet

Lazychem ID	LC-35225
CAS RN	Pole loetletud
PubChem CID	131704517
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-MAQFKCRKSA-N

02Struktuur ja stereokeemia

Two-dimensional chemical structure of Sofosbuvir Impurity 48 — 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 8 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	8
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3)OC4=CC=CC=C4
InChI	Pole loetletud

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully 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.