Chemical identity

2',3'-Didehydro-2',3'-dideoxy-5'-acetate Inosine

CAS 130676-57-2 · C12H12N4O4

01Identity

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

Lazychem IDLC-17293
PubChem CID135542498
Name2',3'-Didehydro-2',3'-dideoxy-5'-acetate Inosine
CAS RN130676-57-2
Molecular formulaC12H12N4O4
Molecular weight276.25 g/mol
IUPAC name((2S,5R)-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)-2,5-dihydrofuran-2-yl)methyl acetate
InChIKeyGPXQOAZINYNULZ-DTWKUNHWSA-N

02Structure identifiers

2D structurePubChem CID 135542498
Two-dimensional chemical structure of 2',3'-Didehydro-2',3'-dideoxy-5'-acetate Inosine, CAS 130676-57-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(=O)OC[C@@H]1C=C[C@@H](O1)N2C=NC3=C2N=CNC3=O
InChINot listed
Formula from structureC12H12N4O4
Molecular weight from structure276.25 g/mol

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 / RCSNO EXACT MATCH FOUNDCAS 130676-57-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 130676-57-2 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Inosine

View API and impurity family

Other names

  • Inosine Impurity 2
  • 2',3'-Didehydro-2',3'-dideoxy-5'-acetate Inosine
  • 2',3'-Didehydro-2',3'-dideoxyinosine-5'-acetate
  • 130676-57-2
  • Inosine, 2',3'-didehydro-2',3'-dideoxy-, 5'-acetate
  • P7XDZ4B2CY
  • Didanosine impurity K [IP]
  • 2',3'-Didehydrodidanosine acetate
  • [(2S,5R)-5-(6-OXO-1H-PURIN-9-YL)-2,5-DIHYDROFURAN-2-YL]METHYL ACETATE
  • [(2S,5R)-5-(6-hydroxy-9H-purin-9-yl)-2,5-dihydrofuran-2-yl]methyl acetate
  • GPXQOAZINYNULZ-DTWKUNHWSA-N
  • Didanosine Impurity 10

Related records from the same parent family

No related records are linked by parent name.

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