Basic information
- CAS
52192-42-4- Standard SMILES
Cn1cnc([N+](=O)[O-])c1[Se]c1nc(N)nc2c1ncn2C1CC(O)C(CO)O1- InChIKey
CWNWFUDUYKTHKR-UHFFFAOYSA-N- Molecular formula
- C14H16N8O5Se
- Average molar mass
- 455.3 g/mol
- Monoisotopic mass
- 456.04089
Names & identifiers
- Preferred name
- 9H-Purin-2-amine, 9-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-
- IUPAC
- 5-[2-amino-6-(3-methyl-5-nitroimidazol-4-yl)selanylpurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
Names & synonyms
52192-42-4NSC166602DTXSID70966568NSC166606NSC-166602NSC-16660657052-30-99H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-9-(2-Deoxypentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)selanyl]-3,9-dihydro-2H-purin-2-imine
Database identifiers
- CAS
52192-42-4、57052-30-9- PubChem CID
- 296445
- DTXSID
DTXSID70966568
Properties
Computed structural properties
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 586
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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