Chemical identity

(3aS,4R,6aR)-4-Methoxytetrahydrofuro[3,4-b]furan-2(3H)-one

CAS 866594-61-8 · C7H10O4

01Identity

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

Lazychem IDLC-12021
PubChem CID11571837
Name(3aS,4R,6aR)-4-Methoxytetrahydrofuro[3,4-b]furan-2(3H)-one
CAS RN866594-61-8
Molecular formulaC7H10O4
Molecular weight158.15 g/mol
IUPAC name(3aS,4R,6aR)-4-methoxytetrahydrofuro[3,4-b]furan-2(3H)-one
InChIKeyLQEIOPTZKCKTPQ-KZLJYQGOSA-N

02Structure identifiers

2D structurePubChem CID 11571837
Two-dimensional chemical structure of (3aS,4R,6aR)-4-Methoxytetrahydrofuro[3,4-b]furan-2(3H)-one, CAS 866594-61-8
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
SMILESCO[C@H]1[C@H]2CC(=O)O[C@H]2CO1
InChINot listed
Formula from structureC7H10O4
Molecular weight from structure158.15 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

4 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 / RCSNO EXACT MATCH FOUNDCAS 866594-61-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 866594-61-8 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

Darunavir

View API and impurity family

Other names

  • Darunavir Impurity 9
  • (3aS,4R,6aR)-4-Methoxytetrahydrofuro[3,4-b]furan-2(3H)-one
  • 866594-61-8
  • (3aS,4R,6aR)-Tetrahydro-4-methoxyfuro[3,4-b]furan-2(3H)-one
  • (3aS,4R,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
  • Darunavir Impurity 7
  • starbld0001103
  • SCHEMBL8077875
  • DTXSID301188395
  • DB-299677
  • (3aS,4R,6aR)-4-methoxy-hexahydrofuro[3,4-b]furan-2-one

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