Identiteet

Sofosbuvir impurity G

Pole loetletud · C22H29FN3O9P

01Identiteet

Lazychem ID	LC-39697
CAS RN	Pole loetletud
PubChem CID	58463528
Molecular formula	C22H29FN3O9P
Molecular weight	529.5 g/mol
IUPAC name	propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-phenoxyphosphoryl]amino]propanoate
InChIKey	IBMLPFZASPUMOW-IAAJYNJHSA-N

02Struktuur ja stereokeemia

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

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 5 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	5
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	C[C@@H](C(=O)OC(C)C)NP(=O)(O[C@@H]1[C@H](O[C@H]([C@]1(C)F)N2C=CC(=O)NC2=O)CO)OC3=CC=CC=C3
InChI	Pole loetletud

03Stereochemistry

The published structure contains 5 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

3 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.