Azonosítás

Isomannide dinitrate

Nincs megadva · C6H8N2O8

01Azonosítás

Lazychem ID	LC-51675
CAS RN	Nincs megadva
PubChem CID	188950
Molecular formula	C6H8N2O8
Molecular weight	236.14 g/mol
IUPAC name	[(3R,3aS,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] nitrate
InChIKey	MOYKHGMNXAOIAT-KVTDHHQDSA-N

02Szerkezet és sztereokémia

Two-dimensional chemical structure of Isomannide dinitrate — 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 stereocentres	4
Ring count	2
Secondary amines	0
Tertiary amines	0

SMILES	C1[C@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-]
InChI	Nincs megadva

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.