Identitet

Adenosine Impurity 18

Inte angivet · C10H13N5O5S

01Identitet

Lazychem ID	LC-45116
CAS RN	Inte angivet
PubChem CID	12799571
Molecular formula	C10H13N5O5S
Molecular weight	315.31 g/mol
IUPAC name	6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-hydroxypurine-2-thione
InChIKey	OWMZKWZHASHSDL-UUOKFMHZSA-N

02Struktur och stereokemi

Two-dimensional chemical structure of Adenosine Impurity 18 — 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 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	4
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	C1=NC2=C(N(C(=S)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N
InChI	Inte angivet

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.