Tożsamość

trans-Desulfoglucotropaeolin

Nie podano · C14H19NO6S

01Tożsamość

Lazychem ID	LC-48244
CAS RN	Nie podano
PubChem CID	9548564
Molecular formula	C14H19NO6S
Molecular weight	329.37 g/mol
IUPAC name	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-hydroxy-2-phenylethanimidothioate
InChIKey	QXWFHEDNDCNERW-BXLHIMNRSA-N

02Struktura i stereochemia

Two-dimensional chemical structure of trans-Desulfoglucotropaeolin — 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. 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)C/C(=N\O)/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI	Nie podano

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

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.