Identidade

Calcium Glubionate

Não indicado · C18H34CaO20

01Identidade

Lazychem ID	LC-48764
CAS RN	Não indicado
PubChem CID	6093269
Molecular formula	C18H34CaO20
Molecular weight	610.5 g/mol
IUPAC name	calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate;hydrate
InChIKey	OKRXSXDSNLJCRS-NLOQLBMISA-L

02Estrutura e estereoquímica

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

The parsed structure contains 1 ring, includes aliphatic carbon, has 13 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	13
Ring count	1
Secondary amines	0
Tertiary amines	0

SMILES	C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.O.[Ca+2]
InChI	Não indicado

03Stereochemistry

The published structure contains 13 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres13Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 8,192Before 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.