Identidade

Benzyladenosine

Não indicado · C17H19N5O4

01Identidade

Lazychem ID	LC-118334
CAS RN	Não indicado
PubChem CID	92208
Molecular formula	C17H19N5O4
Molecular weight	357.4 g/mol
IUPAC name	(2R,3R,4S,5R)-2-[6-(benzylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
InChIKey	MRPKNNSABYPGBF-LSCFUAHRSA-N

02Estrutura e estereoquímica

Two-dimensional chemical structure of Benzyladenosine — 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. These statements are calculated from the published structure string.

Defined stereocentres	4
Ring count	4
Secondary amines	1
Tertiary amines	0

SMILES	C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI	Não indicado

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.