Basic information
- CAS
29868-28-8- Standard SMILES
COC(=O)c1c([N+](=O)[O-])ncn1C1CC(OC(C)=O)C(COC(C)=O)O1- InChIKey
NWWXMPJWFOFGCK-UHFFFAOYSA-N- Molecular formula
- C14H17N3O9
- Average molar mass
- 371.3 g/mol
- Monoisotopic mass
- 371.09647913
Names & identifiers
- Preferred name
- Methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate
- IUPAC
- methyl 3-[4-acetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-5-nitroimidazole-4-carboxylate
Names & synonyms
29868-28-8NSC132068methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylateDTXSID30299682NSC-132068
Database identifiers
- CAS
29868-28-8- PubChem CID
- 280437
- DTXSID
DTXSID30299682
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 579
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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