Identité

2, 3-Diketogulonic Acid

CAS 3445-22-5 · C6H8O7

01Identité

Lazychem IDLC-31448
CAS RN3445-22-5
PubChem CID440390
Molecular formulaC6H8O7
Molecular weight192.12 g/mol
IUPAC name(4R, 5S)-4, 5, 6-trihydroxy-2, 3-dioxohexanoic acid
InChIKeyGJQWCDSAOUMKSE-STHAYSLISA-N

02Structure et stéréochimie

2D structurePubChem CID 440390
Two-dimensional chemical structure of 2, 3-Diketogulonic Acid, CAS 3445-22-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure is acyclic, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count0
Secondary amines0
Tertiary amines0
SMILESC([C@@H]([C@H](C(=O)C(=O)C(=O)O)O)O)O
InChINon indiqué

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

3 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 en Inde

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

05Noms et relations

API et médicament parent

Ascorbic Acid

Impuretés et composés apparentés

Noms et relations

  • Ascorbic Acid Impurity 3
  • 2, 3-Diketogulonic Acid
  • (4R,5S)-4,5,6-trihydroxy-2,3-dioxohexanoate
  • RefChem:934857
  • 2,3-Diketo-L-gulonic acid
  • 3445-22-5
  • diketo-gulonic acid
  • L-threo-2,3-hexodiulosonic acid
  • 2,3-dioxo-4R,5S,6-trihydroxy-hexanoic acid
  • diketogulonate
  • Diketogulonsaure
  • Vitamin Impurity 35

Impuretés et composés apparentés

06Sources