Identità

2'-Deoxy-4'-C-ethynyl-2-fluoroadenosine

Mhux elenkat · C12H12FN5O3

01Identità

Lazychem ID	LC-83976
CAS RN	Mhux elenkat
PubChem CID	6483431
Molecular formula	C12H12FN5O3
Molecular weight	293.25 g/mol
IUPAC name	(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol
InChIKey	IKKXOSBHLYMWAE-QRPMWFLTSA-N

02Struttura u stereokimika

Two-dimensional chemical structure of 2'-Deoxy-4'-C-ethynyl-2-fluoroadenosine — 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 3 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

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

SMILES	C#C[C@]1([C@H](C[C@@H](O1)N2C=NC3=C(N=C(N=C32)F)N)O)CO
InChI	Mhux elenkat

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.