Basic information
- CAS
40094-05-1- Standard SMILES
Cn1cnc([N+](=O)[O-])c1[Se]c1ncnc2c1ncn2C1OC(CO)C(O)C1O- InChIKey
LDVMVFFMCRDYDZ-UHFFFAOYSA-N- Molecular formula
- C14H15N7O6Se
- Average molar mass
- 456.28 g/mol
- Monoisotopic mass
- 457.0249
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-5-[6-(3-methyl-5-nitroimidazol-4-yl)selanylpurin-9-yl]oxolane-3,4-diol
- IUPAC
- 2-(hydroxymethyl)-5-[6-(3-methyl-5-nitroimidazol-4-yl)selanylpurin-9-yl]oxolane-3,4-diol
Names & synonyms
40094-05-1NSC1666082-(hydroxymethyl)-5-[6-(3-methyl-5-nitroimidazol-4-yl)selanylpurin-9-yl]oxolane-3,4-diolDTXSID90304640NSC-1666086-[(1-Methyl-4-nitro-1H-imidazol-5-yl)selanyl]-9-pentofuranosyl-9H-purine
Database identifiers
- CAS
40094-05-1- PubChem CID
- 296450
- DTXSID
DTXSID90304640
Properties
Computed structural properties
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 587
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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