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Basic information
- Standard SMILES
CSc1nc(NC2OCC(O)C(O)C2O)c(I)c(=O)n1C- InChIKey
PEZQXUYVRUAJLE-UHFFFAOYSA-N- Molecular formula
- C11H16IN3O5S
- Average molar mass
- 429.23 g/mol
- Monoisotopic mass
- 428.98554
Names & identifiers
- Preferred name
- 5-Iodo-3-methyl-2-methylsulfanyl-6-[(3,4,5-trihydroxyoxan-2-yl)amino]pyrimidin-4-one
- IUPAC
- 5-iodo-3-methyl-2-methylsulfanyl-6-[(3,4,5-trihydroxyoxan-2-yl)amino]pyrimidin-4-one
Names & synonyms
NSC608646NSC-608646
Database identifiers
- PubChem CID
- 355309
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
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Compound notes
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