Identitate

Epishikimic acid

Nu este indicat · C7H10O5

01Identitate

Lazychem IDLC-46227
CAS RNNu este indicat
PubChem CID11332752
Molecular formulaC7H10O5
Molecular weight174.15 g/mol
IUPAC name(3R,4R,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid
InChIKeyJXOHGGNKMLTUBP-PBXRRBTRSA-N

02Structură și stereochimie

2D structurePubChem CID 11332752
Two-dimensional chemical structure of Epishikimic acid
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 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Ring count1
Secondary amines0
Tertiary amines0
SMILESC1[C@H]([C@H]([C@@H](C=C1C(=O)O)O)O)O
InChINu este indicat

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

4 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.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Statut în India

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Denumiri și relații

API și medicament părinte

Nu este indicat

Denumiri și relații

    Impurități și compuși înrudiți

      06Surse