Identitet

Isosorbide 5-Mononitrate Glucuronide

Ikke angivet · C12H17NO12

01Identitet

Lazychem IDLC-17616
CAS RNIkke angivet
PubChem CID23623937
Molecular formulaC12H17NO12
Molecular weight367.26 g/mol
IUPAC name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(((3S,3aR,6R,6aS)-6-(nitrooxy)hexahydrofuro[3,2-b]furan-3-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
InChIKeyMQHSDQNPAIOBOQ-UNOXEBRKSA-N

02Struktur og stereokemi

2D structurePubChem CID 23623937
Two-dimensional chemical structure of Isosorbide 5-Mononitrate Glucuronide
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon, has 9 defined stereocentres, contains a nitro substructure. These statements are calculated from the published structure string.

Defined stereocentres9
Ring count3
Secondary amines0
Tertiary amines0
SMILESC1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChIIkke angivet

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres9Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before 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.

04Status i Indien

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

05Navne og relationer

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