Chemical identity

2, 3-Diketogulonic Acid

CAS 3445-22-5 · C6H8O7

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-31448
PubChem CID440390
Name2, 3-Diketogulonic Acid
CAS RN3445-22-5
Molecular formulaC6H8O7
Molecular weight192.12 g/mol
IUPAC name(4R, 5S)-4, 5, 6-trihydroxy-2, 3-dioxohexanoic acid
InChIKeyGJQWCDSAOUMKSE-STHAYSLISA-N

02Structure identifiers

2D structurePubChem CID 440390
2D structure: 2, 3-Diketogulonic Acid, CAS 3445-22-5
Structure of 2, 3-Diketogulonic Acid (CAS 3445-22-5). LazyChem record. Source identity: PubChem CID 440390. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC6H8O7
InChIKeyGJQWCDSAOUMKSE-STHAYSLISA-N
Ring count0
Defined stereocentres2
Unassigned stereocentres0
SMILESC([C@@H]([C@H](C(=O)C(=O)C(=O)O)O)O)O
InChIInChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m0/s1

03Stereochemistry

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

Defined stereocentres22D structure
Unassigned stereocentres02D structure
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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 3445-22-5 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 3445-22-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Ascorbic Acid

View API and impurity family

Other names

  • Ascorbic Acid Impurity 3
  • (4R,5S)-4,5,6-trihydroxy-2,3-dioxohexanoate
  • 2,3-Diketo-L-gulonic acid
  • diketo-gulonic acid
  • L-threo-2,3-hexodiulosonic acid
  • 2,3-dioxo-4R,5S,6-trihydroxy-hexanoic acid
  • diketogulonate
  • Diketogulonsaure

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources