Basic information
- CAS
128496-21-9- Standard SMILES
Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)C=C2F)c(=O)[nH]c1=O- InChIKey
XBCRJIYVBIYSIL-RPLLCQBOSA-N- Molecular formula
- C29H25FN2O4
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 484.17983545
Names & identifiers
- Preferred name
- 1-(3-Deoxy-2,3-didehydro-2-fluoro-5-O-trityl-beta-D-glycero-2-enopentofuranosyl)thymine
- IUPAC
- 1-[(2R,5S)-3-fluoro-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
2',3'-Olefin-T128496-21-91-(3-Deoxy-2,3-didehydro-2-fluoro-5-O-trityl-beta-D-glycero-2-enopentofuranosyl)thymineDTXSID501559131-(3-Deoxy-2,3-didehydro-2-fluoro-5-O-trityl-.beta.-D-glycero-2-enopentofuranosyl)thymine1-[(2R,5S)-3-fluoro-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione1-{(2R,5S)-3-Fluoro-5-[(triphenylmethoxy)methyl]-2,5-dihydrofuran-2-yl}-5-methylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
128496-21-9- PubChem CID
- 453030
- DTXSID
DTXSID50155913
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 823
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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