Basic information
- CAS
64761-27-9- Standard SMILES
O=c1[nH]c(=O)c2[nH]c(I)nc2[nH]1- InChIKey
NUOWLRDOBJQZNY-UHFFFAOYSA-N- Molecular formula
- C5H3IN4O2
- Average molar mass
- 278.01 g/mol
- Monoisotopic mass
- 277.93007
Names & identifiers
- Preferred name
- 3,9-Dihydro-8-iodo-1H-purine-2,6-dione
- IUPAC
- 8-iodo-3,7-dihydropurine-2,6-dione
Names & synonyms
3,9-Dihydro-8-iodo-1H-purine-2,6-dione64761-27-9RefChem:2728028-JodxanthinSCHEMBL932609SCHEMBL14793670DTXSID0012826358-Iodo-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
64761-27-9- PubChem CID
- 9856863
- DTXSID
DTXSID001282635
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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