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Basic information
- Standard SMILES
C=CCOC1CC(n2cc(I)c(N)nc2=O)OC1CO- InChIKey
YSERJHUTSCHCPJ-UHFFFAOYSA-N- Molecular formula
- C12H16IN3O4
- Average molar mass
- 393.18 g/mol
- Monoisotopic mass
- 393.01855
Names & identifiers
- Preferred name
- 4-Amino-1-[5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-5-iodopyrimidin-2-one
- IUPAC
- 4-amino-1-[5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-5-iodopyrimidin-2-one
Names & synonyms
SCHEMBL2611637
Database identifiers
- PubChem CID
- 57712705
Properties
Computed structural propertiesFilling in
- XLogP
- -0.1
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 466
Related reactions
1 records
Compound notes
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