Chemical identity

(1S,5R,6R)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic Acid Ethyl Ester

CAS 876014-27-6 · C9H12O4

01Identity

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

Lazychem IDLC-24249
PubChem CID11694013
Name(1S,5R,6R)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic Acid Ethyl Ester
CAS RN876014-27-6
Molecular formulaC9H12O4
Molecular weight184.19 g/mol
IUPAC nameethyl (1S,5R,6R)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
InChIKeyUAFHUMBBORXHIV-GJMOJQLCSA-N

02Structure identifiers

2D structurePubChem CID 11694013
Two-dimensional chemical structure of (1S,5R,6R)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic Acid Ethyl Ester, CAS 876014-27-6
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres3
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCCOC(=O)C1=C[C@H]([C@@H]2[C@H](C1)O2)O
InChINot listed
Formula from structureC9H12O4
Molecular weight from structure184.19 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 876014-27-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 876014-27-6 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

  • Oseltamivir Impurity 26
  • (1S,5R,6R)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic Acid Ethyl Ester
  • 876014-27-6
  • ethyl (1S,5R,6R)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
  • starbld0008730
  • A5D8R4LR3A
  • CS-0164989
  • (1S,5R,6R)-ethyl 5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
  • 7-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 5-hydroxy-, ethyl ester, (1S,5R,6R)-
  • (1S,5R,6R)-Ethyl 5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate (Oseltamivir Impurity pound(c)

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