Identità

Isoidide mononitrate

CAS 16908-90-0 · C6H9NO6

01Identità

Lazychem IDLC-17624
CAS RN16908-90-0
PubChem CID182267
Molecular formulaC6H9NO6
Molecular weight191.14 g/mol
IUPAC name(3R,3aS,6R,6aR)-6-hydroxyhexahydrofuro[3,2-b]furan-3-yl nitrate
InChIKeyYWXYYJSYQOXTPL-KVTDHHQDSA-N

02Struttura u stereokimika

2D structurePubChem CID 182267
Two-dimensional chemical structure of Isoidide mononitrate, CAS 16908-90-0
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
Ring count2
Secondary amines0
Tertiary amines0
SMILESC1[C@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O
InChIMhux elenkat

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

5 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.

04Status fl-Indja

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Ismijiet u relazzjonijiet

API u mediċina prinċipali

Isosorbide

Impuritajiet u komposti relatati

Ismijiet u relazzjonijiet

  • Isosorbide Impurity 16
  • Isoidide mononitrate
  • L-Iimn
  • L-Isoidide-2-mononitrate
  • 38709-03-4
  • RefChem:923710
  • 16908-90-0
  • 1,4:3,6-dianhydro-2-O-nitro-D-mannitol
  • ((1R,2R,5R,6R)-6-Hydroxy-4,8-dioxabicyclo(3.3.0)oct-2-yl) nitrate
  • (3R,3aS,6R,6aR)-6-hydroxyhexahydrofuro[3,2-b]furan-3-yl nitrate
  • [(3R,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
  • 35993-37-4

Impuritajiet u komposti relatati

06Sorsi