Identità

Adenosine Impurity 51

Non indicato · C17H18BrN5O6S

01Identità

Lazychem ID	LC-40034
CAS RN	Non indicato
PubChem CID	57212050
Molecular formula	C17H18BrN5O6S
Molecular weight	500.3 g/mol
IUPAC name	[(2R,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate
InChIKey	GFMQUCSAVXJYNB-XNIJJKJLSA-N

02Struttura e stereochimica

Two-dimensional chemical structure of Adenosine Impurity 51 — 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 4 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

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

SMILES	CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@@H]([C@H](O[C@H]2N3C4=NC=NC(=C4N=C3Br)N)CO)O
InChI	Non indicato

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 16Before 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.