Basic information
- CAS
3415-70-1- Standard SMILES
CCCCCCCC(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1OC(=O)CCCCCCC- InChIKey
MHHHJDVJXRSMRN-PWRODBHTSA-N- Molecular formula
- C25H39FN2O7
- Average molar mass
- 498.6 g/mol
- Monoisotopic mass
- 498.27412975
Overview
lipophilic prodrug of fluorodeoxyuridine; structure given in first source
Names & identifiers
- Preferred name
- 3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine
- IUPAC
- [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-octanoyloxyoxolan-2-yl]methyl octanoate
- English name
- 3',5'-dioctanoyl-5-fluoro-2'-deoxyuridine
- Molecular formula
- C25H39FN2O7
- Molecular weight
- 498.59
Names & synonyms
Fdurd-C83',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine3415-70-15-Fluoro-2'-deoxy-O',O'-dioctanoyluridineRefChem:90260[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-octanoyloxyoxolan-2-yl]methyl octanoateSCHEMBL10951268DTXSID909556962'-deoxy-3',5'-di-O-octanoyl-5-fluorouridineUridine, 2'-deoxy-5-fluoro-, 3',5'-dioctanoate1-(2-Deoxy-3,5-di-O-octanoylpentofuranosyl)-5-fluoro-4-hydroxypyrimidin-2(1H)-one1-(2-Deoxy-3,5-di-O-octanoyl-beta-D-erythro-pentofuranosyl)-5-fluoro-4-hydroxypyrimidin-2(1H)-one
Show more names
Fdurd-C-82'-Deoxy-5-fluorouridine 3',5'-dioctanoate
Database identifiers
- CAS
3415-70-1
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 18
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 758
Physicochemical properties
- Density
- 1.187 · 1.187±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.655 · 7.655±0.10(predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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