Chemical identity

(3R,4S,5R)-ethyl 5-azido-4-hydroxy-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate

CAS 204254-98-8 · C14H23N3O4

01Identity

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

Lazychem IDLC-00274
PubChem CID9796234
Name(3R,4S,5R)-ethyl 5-azido-4-hydroxy-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate
CAS RN204254-98-8
Molecular formulaC14H23N3O4
Molecular weight297.36 g/mol
IUPAC name(3R,4S,5R)-ethyl 5-azido-4-hydroxy-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate
InChIKeyZVXCZNLVOFIJMG-UPJWGTAASA-N

02Structure identifiers

2D structurePubChem CID 9796234
Two-dimensional chemical structure of (3R,4S,5R)-ethyl 5-azido-4-hydroxy-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate, CAS 204254-98-8
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
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCCC(CC)O[C@@H]1C=C(C[C@H]([C@@H]1O)N=[N+]=[N-])C(=O)OCC
InChINot listed
Formula from structureC14H23N3O4
Molecular weight from structure297.36 g/mol

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

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 204254-98-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 204254-98-8 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

Oseltamivir

View API and impurity family

Other names

  • 1-Cyclohexene-1-carboxylic acid, 5-azido-3-(1-ethylpropoxy)-4-hydroxy-, ethyl ester, (3R,4S,5R)
  • Ethyl (3R,4S,5R)-5-azido-3-(1-ethylpropoxy)-4-hydroxycyclohex-1-ene-1-carboxylate
  • Ethyl (3R,4S,5R)-5-azido-3-(1-ethylpropoxy)-4-hydroxy-1-cyclohexene-1-carboxylate
  • RefChem:593101
  • 805-633-3
  • 204254-98-8
  • ethyl (3R,4S,5R)-5-azido-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate
  • (3R,4S,5R)-ethyl 5-azido-4-hydroxy-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate
  • ethyl (3R,4S,5R)-5-azido-4-hydroxy-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
  • V3KGM2S7ZK
  • SCHEMBL15481366

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