4-Amino-1-(3,5-di-o-butanoylpentofuranosyl)pyrimidin-2(1h)-one
Basic information
- CAS
34417-62-4- Standard SMILES
CCCC(=O)OCC1OC(n2ccc(N)nc2=O)C(O)C1OC(=O)CCC- InChIKey
FJVLFCNQBYEWRA-UHFFFAOYSA-N- Molecular formula
- C17H25N3O7
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.16925015
Names & identifiers
- Preferred name
- 4-Amino-1-(3,5-di-o-butanoylpentofuranosyl)pyrimidin-2(1h)-one
- IUPAC
- [5-(4-amino-2-oxopyrimidin-1-yl)-3-butanoyloxy-4-hydroxyoxolan-2-yl]methyl butanoate
Names & synonyms
34417-62-44-amino-1-(3,5-di-o-butanoylpentofuranosyl)pyrimidin-2(1h)-oneNSC143912DTXSID00301509NSC-143912
Database identifiers
- CAS
34417-62-4- PubChem CID
- 286097
- DTXSID
DTXSID00301509
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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