2,4(1H,3H)-Pyrimidinedione, 1-(5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-alpha-D-arabino-hexofuranosyl)-5-fluoro-
Basic information
- CAS
133488-20-7- Standard SMILES
CC(=O)OC[C@@H](OC(C)=O)[C@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1N1C(=O)c2ccccc2C1=O- InChIKey
YRWPHXXGCYWJOL-BDXSIMOUSA-N- Molecular formula
- C22H20FN3O9
- Average molar mass
- 489.4 g/mol
- Monoisotopic mass
- 489.11835739
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 1-(5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-alpha-D-arabino-hexofuranosyl)-5-fluoro-
- IUPAC
- [(2R)-2-acetyloxy-2-[(2S,3R,5S)-3-(1,3-dioxoisoindol-2-yl)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl] acetate
Names & synonyms
133488-20-72,4(1H,3H)-Pyrimidinedione, 1-(5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-alpha-D-arabino-hexofuranosyl)-5-fluoro-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-2,3-dideoxy-alpha-D-arabino-hexofuranosyl)-5-fluorouracilDTXSID20928136[(2R)-2-acetoxy-2-[(2S,3R,5S)-3-(1,3-dioxoisoindolin-2-yl)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]ethyl] acetate1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-2,3-dideoxy-.alpha.-D-arabino- hexofuranosyl)-5-fluorouracil1-[5,6-Di-O-acetyl-2,3-dideoxy-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-alpha-D-arabino-hexofuranosyl]-5-fluoro-4-hydroxypyrimidin-2(1H)-one1-[5,6-Di-O-acetyl-2,3-dideoxy-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexofuranosyl]-5-fluoro-4-hydroxypyrimidin-2(1H)-one2,4(1H,3H)-Pyrimidinedione, 1-[5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-.alpha.-D-arabino-hexofuranosyl]-5-fluoro-
Database identifiers
- CAS
133488-20-7- PubChem CID
- 452873
- DTXSID
DTXSID20928136
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 975
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