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Basic information
- Standard SMILES
COc1nc(NC2OC(CO)C(O)C(O)C2O)c(I)c(=O)n1C- InChIKey
FQPWKSLXXFCCMY-UHFFFAOYSA-N- Molecular formula
- C12H18IN3O7
- Average molar mass
- 443.19 g/mol
- Monoisotopic mass
- 443.01895
Names & identifiers
- Preferred name
- 5-Iodo-2-methoxy-3-methyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-4-one
- IUPAC
- 5-iodo-2-methoxy-3-methyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-4-one
Names & synonyms
NSC608643NSC-6086435-iodo-2-methoxy-3-methyl-6-(3,5-trihydroxy-6- (hydroxymethyl)tetrahydro-2H-pyran-2-ylamino) pyrimidin-4(3H)-one
Database identifiers
- PubChem CID
- 355306
Properties
Computed structural propertiesFilling in
- XLogP
- -1.4
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 541
Related reactions
0 records
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Compound notes
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