Chemical identity

(3S,3aR,6R,6aS)-6-(Nitrooxy)hexahydrofuro[3,2-b]furan-3-yl acetate

CAS 39813-48-4 · C8H11NO7

01Identity

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

Lazychem IDLC-17619
PubChem CID11183884
Name(3S,3aR,6R,6aS)-6-(Nitrooxy)hexahydrofuro[3,2-b]furan-3-yl acetate
CAS RN39813-48-4
Molecular formulaC8H11NO7
Molecular weight233.18 g/mol
IUPAC name(3S,3aR,6R,6aS)-6-(nitrooxy)hexahydrofuro[3,2-b]furan-3-yl acetate
InChIKeyRFCPWRHGGSRYGX-LXGUWJNJSA-N

02Structure identifiers

2D structurePubChem CID 11183884
Two-dimensional chemical structure of (3S,3aR,6R,6aS)-6-(Nitrooxy)hexahydrofuro[3,2-b]furan-3-yl acetate, CAS 39813-48-4
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 4 defined stereocentres, contains a nitro substructure. These statements are calculated from the published structure string.

Defined stereocentres4
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(=O)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-]
InChINot listed
Formula from structureC8H11NO7
Molecular weight from structure233.18 g/mol

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

2 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 39813-48-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 39813-48-4 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

Isosorbide

View API and impurity family

Other names

  • Isosorbide Impurity 1
  • (3S,3aR,6R,6aS)-6-(Nitrooxy)hexahydrofuro[3,2-b]furan-3-yl acetate
  • 39813-48-4
  • Isosorbide Impurity 14
  • 66BZ9F4SGM
  • SCHEMBL7417455
  • Isosorbide 2-acetate 5-nitrate
  • Isosorbide Dinitrate Impurity 4
  • H49660
  • 1,4:3,6-Dianhydro-D-glucitol 2-acetate 5-nitrate
  • D-Glucitol, 1,4:3,6-dianhydro-, 2-acetate 5-nitrate

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