Identidade

BIS THF Nitro Derivative 2

Não indicado · C13H13NO7

01Identidade

Lazychem ID	LC-39566
CAS RN	Não indicado
PubChem CID	59093394
Molecular formula	C13H13NO7
Molecular weight	295.24 g/mol
IUPAC name	[(3aS,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrophenyl) carbonate
InChIKey	ULTSJNOQNKVDBM-QJPTWQEYSA-N

02Estrutura e estereoquímica

Two-dimensional chemical structure of BIS THF Nitro Derivative 2 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres	3
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	C1CO[C@H]2[C@@H]1[C@@H](CO2)OC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI	Não indicado

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

3 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.