Tetradecyl 2'-deoxy-5-fluoro-5'-uridylate
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Basic information
- CAS
86976-77-4- Standard SMILES
CCCCCCCCCCCCCCOP(=O)(O)OC[C@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O- InChIKey
IGXUBNSHRZHJRV-HBMCJLEFSA-N- Molecular formula
- C23H40FN2O8P
- Average molar mass
- 522.5 g/mol
- Monoisotopic mass
- 522.2506314
Overview
structure given in first source
Names & identifiers
- Preferred name
- Tetradecyl 2'-deoxy-5-fluoro-5'-uridylate
- IUPAC
- [(2R,3S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl tetradecyl hydrogen phosphate
- English name
- tetradecyl 2'-deoxy-5-fluoro-5'-uridylate
- Molecular formula
- C23H40FN2O8P
- Molecular weight
- 522.55
Names & synonyms
86976-77-4Tetradecyl 2'-deoxy-5-fluoro-5'-uridylateRefChem:188521DTXSID0010072275'-Uridylic acid, 2'-deoxy-5-fluoro-, monotetradecyl ester1-{2-Deoxy-5-O-[hydroxy(tetradecyloxy)phosphoryl]-alpha-D-erythro-pentofuranosyl}-5-fluoro-4-hydroxypyrimidin-2(1H)-one1-{2-Deoxy-5-O-[hydroxy(tetradecyloxy)phosphoryl]pentofuranosyl}-5-fluoro-4-hydroxypyrimidin-2(1H)-one5'-Uridylic acid, 2'-deoxy-5-fluoro-, monotetradecyl ester (9CI)[(2R,3S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl tetradecyl hydrogen phosphate
Database identifiers
- CAS
86976-77-4- PubChem CID
- 163532
- DTXSID
DTXSID001007227
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 18
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 753
Physicochemical properties
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 1.44 · 1.44±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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