Tożsamość

3-Dehydroshikimate

Nie podano · C7H8O5

01Tożsamość

Lazychem ID	LC-107740
CAS RN	Nie podano
PubChem CID	439774
Molecular formula	C7H8O5
Molecular weight	172.13 g/mol
IUPAC name	(4S,5R)-4,5-dihydroxy-3-oxocyclohexene-1-carboxylic acid
InChIKey	SLWWJZMPHJJOPH-PHDIDXHHSA-N

02Struktura i stereochemia

Two-dimensional chemical structure of 3-Dehydroshikimate — 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 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	1
Secondary amines	0
Tertiary amines	0

SMILES	C1[C@H]([C@@H](C(=O)C=C1C(=O)O)O)O
InChI	Nie podano

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 4Before 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.