5-Iodo-2-methoxy-3-methyl-6-[(3,4,5-trihydroxyoxan-2-yl)amino]pyrimidin-4-one
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Basic information
- Standard SMILES
COc1nc(NC2OCC(O)C(O)C2O)c(I)c(=O)n1C- InChIKey
QCHBEOFGDPVTQQ-UHFFFAOYSA-N- Molecular formula
- C11H16IN3O6
- Average molar mass
- 413.17 g/mol
- Monoisotopic mass
- 413.00838
Names & identifiers
- Preferred name
- 5-Iodo-2-methoxy-3-methyl-6-[(3,4,5-trihydroxyoxan-2-yl)amino]pyrimidin-4-one
- IUPAC
- 5-iodo-2-methoxy-3-methyl-6-[(3,4,5-trihydroxyoxan-2-yl)amino]pyrimidin-4-one
Names & synonyms
NSC608642NSC-608642
Database identifiers
- PubChem CID
- 355305
Properties
Computed structural propertiesFilling in
- XLogP
- -1.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 496
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Compound notes
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