Basic information
- CAS
74596-17-1- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)n(C(=O)c3cccc(C)c3)c2=O)C[C@@H]1OC(C)=O- InChIKey
IKNZXGXQOQHHJA-RCCFBDPRSA-N- Molecular formula
- C21H21FN2O8
- Average molar mass
- 448.4 g/mol
- Monoisotopic mass
- 448.12819379
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine
- IUPAC
- [(2R,3S,5R)-3-acetyloxy-5-[5-fluoro-3-(3-methylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl acetate
- English name
- 2'-deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine
- Molecular formula
- C21H21FN2O8
- Molecular weight
- 448.4
Names & synonyms
74596-17-1FF-7052'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridineDTXSID70225566RefChem:80258DTXCID00148057[(2R,3S,5R)-2-(Acetyloxymethyl)-5-[5-Fluoro-3-(3-Methylbenzoyl)-2,4-Dioxopyrimidin-1-Yl]Oxolan-3-Yl] AcetateFF 705Uridine, 2'-deoxy-5-fluoro-3-(3-methylbenzoyl)-, 3',5'-diacetateSCHEMBL111425373',5'-di-O-acetyl-2'-deoxy-5-fluoro-3-(3-methylbenzoyl)uridine2'-DEOXY-3',5'-DI-O-ACETYL-5-FLUORO-3-(3-METHYLBE...
Show more names
2'-Deoxy-5-fluoro-3-(3-methylbenzoyl)uridine 3',5'-diacetate
Database identifiers
- CAS
74596-17-1- PubChem CID
- 126643
- DTXSID
DTXSID70225566- Nikkaji
- J22.248H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 844
Physicochemical properties
- Boiling point
- 555.761 · 555.761±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.434 · 1.434±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -5.564 · -5.564±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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