Identität

Brivudine Impurity 50

Nicht angegeben · C11H13BrN2O5

01Identität

Lazychem ID	LC-44431
CAS RN	Nicht angegeben
PubChem CID	13853085
Molecular formula	C11H13BrN2O5
Molecular weight	333.13 g/mol
IUPAC name	5-(1-bromoethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChIKey	SZFVJPZEJJLMBZ-DJLDLDEBSA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Brivudine Impurity 50 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	2
Secondary amines	0
Tertiary amines	0

SMILES	C=C(C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)Br
InChI	Nicht angegeben

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 8Before 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.