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Basic information
- Standard SMILES
[N-]=[N+]=NC(CI)c1cn(CCC(CO)CO)c(=O)[nH]c1=O- InChIKey
WSRAALHLSBBWFK-UHFFFAOYSA-N- Molecular formula
- C11H16IN5O4
- Average molar mass
- 409.18 g/mol
- Monoisotopic mass
- 409.0247
Names & identifiers
- Preferred name
- 1-[4-Hydroxy-3-(hydroxymethyl)-1-butyl]-5-(1-azido-2-iodoethyl)uracil
- IUPAC
- 5-(1-azido-2-iodoethyl)-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione
Names & synonyms
CHEMBL131746WSRAALHLSBBWFK-UHFFFAOYSA-N1-[4-Hydroxy-3-(hydroxymethyl)-1-butyl]-5-(1-azido-2-iodoethyl)uracil5-(1-azido-2-iodo-ethyl)-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione5-(1-Azido-2-iodoethyl)-1-[4-hydroxy-3-(hydroxymethyl)butyl]-2,4(1H,3H)-pyrimidinedione
Database identifiers
- PubChem CID
- 490388
- ChEMBL
CHEMBL131746- Nikkaji
- J1.660.900E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 473
Related reactions
3 records
Compound notes
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