Identiteit

8-Chloroadenosine

Niet vermeld · C10H12ClN5O4

01Identiteit

Lazychem ID	LC-113930
CAS RN	Niet vermeld
PubChem CID	147569
Molecular formula	C10H12ClN5O4
Molecular weight	301.69 g/mol
IUPAC name	(2R,3R,4S,5R)-2-(6-amino-8-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChIKey	MHDPPLULTMGBSI-UUOKFMHZSA-N

02Structuur en stereochemie

Two-dimensional chemical structure of 8-Chloroadenosine — 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, contains at least one halogen atom. These statements are calculated from the published structure string.

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

SMILES	C1=NC(=C2C(=N1)N(C(=N2)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI	Niet vermeld

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.