Chemical identity

((2R,3S,4R)-3,4,5-Trihydroxytetrahydrofuran-2-yl)methyl isobutyrate

CAS 2591381-21-2 · C9H16O6

01Identity

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

Lazychem IDLC-20509
PubChem CID164674446
Name((2R,3S,4R)-3,4,5-Trihydroxytetrahydrofuran-2-yl)methyl isobutyrate
CAS RN2591381-21-2
Molecular formulaC9H16O6
Molecular weight220.22 g/mol
IUPAC name((2R,3S,4R)-3,4,5-trihydroxytetrahydrofuran-2-yl)methyl isobutyrate
InChIKeyJEMCWNNEJCOKPW-PILSHRGASA-N

02Structure identifiers

2D structurePubChem CID 164674446
Two-dimensional chemical structure of ((2R,3S,4R)-3,4,5-Trihydroxytetrahydrofuran-2-yl)methyl isobutyrate, CAS 2591381-21-2
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 stereocentres1
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)C(=O)OC[C@@H]1[C@H]([C@H](C(O1)O)O)O
InChINot listed
Formula from structureC9H16O6
Molecular weight from structure220.22 g/mol

03Stereochemistry

The published structure contains 3 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 16Before 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 2591381-21-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2591381-21-2 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

Molnupiravir Impurity 3

View associated product family

Other names

  • Molnupiravir Impurity 3 (Mixture of Diastereomers)
  • ((2R,3S,4R)-3,4,5-Trihydroxytetrahydrofuran-2-yl)methyl isobutyrate
  • 2591381-21-2
  • SCHEMBL24527134

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