Tapatybė

Abacavir Sulfate

Nenurodyta · C28H38N12O6S

01Tapatybė

Lazychem ID	LC-50945
CAS RN	Nenurodyta
PubChem CID	441384
Molecular formula	C28H38N12O6S
Molecular weight	670.7 g/mol
IUPAC name	bis([(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol);sulfuric acid
InChIKey	WMHSRBZIJNQHKT-FFKFEZPRSA-N

02Struktūra ir stereochemija

Two-dimensional chemical structure of Abacavir Sulfate — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 8 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	8
Secondary amines	2
Tertiary amines	0

SMILES	C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO.C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO.OS(=O)(=O)O
InChI	Nenurodyta

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.