Tunnistetiedot

Entecavir impurity 39

Ei ilmoitettu · C15H19N5O5

01Tunnistetiedot

Lazychem ID	LC-34116
CAS RN	Ei ilmoitettu
PubChem CID	145708375
Molecular formula	C15H19N5O5
Molecular weight	349.34 g/mol
IUPAC name	2-[[9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6-oxo-1H-purin-2-yl]amino]propanoic acid
InChIKey	FJUGOJOVRGQPGT-CFEUDACVSA-N

02Rakenne ja stereokemia

Two-dimensional chemical structure of Entecavir impurity 39 — 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 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	3
Secondary amines	1
Tertiary amines	0

SMILES	CC(C(=O)O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3C[C@@H]([C@H](C3=C)CO)O
InChI	Ei ilmoitettu

03Stereochemistry

The published structure contains 3 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 16Before 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.