Basic information
- CAS
59090-52-7- Standard SMILES
O=C(CI)NCc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O- InChIKey
XEMWWXHHNUFOPH-UHFFFAOYSA-N- Molecular formula
- C12H16IN3O6
- Average molar mass
- 425.18 g/mol
- Monoisotopic mass
- 425.00838
Names & identifiers
- Preferred name
- N-[[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2-iodoacetamide
- IUPAC
- N-[[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2-iodoacetamide
Names & synonyms
NSC25991559090-52-7DTXSID00312635NSC-2599151-(2-Deoxypentofuranosyl)-5-[(2-iodoacetamido)methyl]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
59090-52-7- PubChem CID
- 318921
- DTXSID
DTXSID00312635
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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