[3,4-Dibenzoyloxy-5-(2-nitroimidazol-1-yl)oxolan-2-yl]methyl benzoate

HCID 335828
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
67773-76-6
Standard SMILES
O=C(OCC1OC(n2ccnc2[N+](=O)[O-])C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1
InChIKey
NDETXRJGONENPG-UHFFFAOYSA-N
Molecular formula
C29H23N3O9
Average molar mass
557.5 g/mol
Monoisotopic mass
557.14342932

Names & identifiers

Preferred name
[3,4-Dibenzoyloxy-5-(2-nitroimidazol-1-yl)oxolan-2-yl]methyl benzoate
IUPAC
[3,4-dibenzoyloxy-5-(2-nitroimidazol-1-yl)oxolan-2-yl]methyl benzoate

Names & synonyms

67773-76-6NSC347470[3,4-dibenzoyloxy-5-(2-nitroimidazol-1-yl)oxolan-2-yl]methyl benzoateDTXSID00319568NSC-3474702-Nitro-1-(2,3,5-tri-O-benzoylpentofuranosyl)-1H-imidazole

Database identifiers

CAS
67773-76-6
PubChem CID
335828
DTXSID
DTXSID00319568

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
152 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
10
Rotatable bonds
11
Heavy atoms
41

Related reactions

1 records
New reaction record

Compound notes

Loading…