Tunnistetiedot

Nitrophenylgalactosides

Ei ilmoitettu · C12H15NO8

01Tunnistetiedot

Lazychem ID	LC-117500
CAS RN	Ei ilmoitettu
PubChem CID	96647
Molecular formula	C12H15NO8
Molecular weight	301.25 g/mol
IUPAC name	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol
InChIKey	KUWPCJHYPSUOFW-YBXAARCKSA-N

02Rakenne ja stereokemia

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

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 5 defined stereocentres, contains a nitro substructure. These statements are calculated from the published structure string.

Defined stereocentres	5
Ring count	2
Secondary amines	0
Tertiary amines	0

SMILES	C1=CC=C(C(=C1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChI	Ei ilmoitettu

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 32Before symmetry reduction

Published same-connectivity configurations

2 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.