Identidade

2-epi-Valiolone

Não indicado · C7H12O6

01Identidade

Lazychem IDLC-36358
CAS RNNão indicado
PubChem CID102290074
Molecular formulaC7H12O6
Molecular weight192.17 g/mol
IUPAC name(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one
InChIKeyJCZFNXYQGNLHDQ-JWXFUTCRSA-N

02Estrutura e estereoquímica

2D structurePubChem CID 102290074
Two-dimensional chemical structure of 2-epi-Valiolone
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 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count1
Secondary amines0
Tertiary amines0
SMILESC1C(=O)[C@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O
InChINão indicado

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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.

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.

04Estado na Índia

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

05Nomes e relações

API e fármaco de origem

Não indicado

Nomes e relações

    Impurezas e compostos relacionados

      06Fontes