[9-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxopurin-1-yl]-phenylmercury
Basic information
- CAS
72813-23-1- Standard SMILES
O=c1c2ncn(C3OC(CO)C(O)C3O)c2nc[n]1[Hg][c]1ccccc1- InChIKey
ZEYDEJWIGOAYNK-UHFFFAOYSA-M- Molecular formula
- C16H16HgN4O5
- Average molar mass
- 544.91 g/mol
- Monoisotopic mass
- 546.082713
Names & identifiers
- Preferred name
- [9-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxopurin-1-yl]-phenylmercury
- IUPAC
- [9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxopurin-1-yl]-phenylmercury
Names & synonyms
72813-23-1NSC367280[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxopurin-1-yl]-phenylmercuryDTXSID80331107NSC-367280{9-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-6,9-dihydro-1H-purin-1-yl}(phenyl)mercury
Database identifiers
- CAS
72813-23-1- PubChem CID
- 435303
- DTXSID
DTXSID80331107
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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