Tunnistetiedot

Dihydrospectinomycin

Ei ilmoitettu · C14H26N2O7

01Tunnistetiedot

Lazychem ID	LC-49504
CAS RN	Ei ilmoitettu
PubChem CID	3082279
Molecular formula	C14H26N2O7
Molecular weight	334.37 g/mol
IUPAC name	(1R,3S,5R,7R,8S,10R,11S,12S,13R,14S)-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecane-7,8,12,14-tetrol
InChIKey	GKPRKJXOTBXASY-IQKNWYLPSA-N

02Rakenne ja stereokemia

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

The parsed structure contains 3 rings, includes aliphatic carbon, has 10 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	10
Ring count	3
Secondary amines	2
Tertiary amines	0

SMILES	C[C@@H]1C[C@H]([C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O)O
InChI	Ei ilmoitettu

03Stereochemistry

The published structure contains 10 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres10Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 1,024Before symmetry reduction

Published same-connectivity configurations

3 records

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.