Basic information
- CAS
128114-99-8- Standard SMILES
Cc1cn2c(nc1=O)O[C@@H]1[C@H](F)[C@H]2O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
DPSJICBTCIHLOT-DPRQWMOBSA-N- Molecular formula
- C29H25FN2O4
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 484.17983545
Names & identifiers
- Preferred name
- 2,3'-Anhydro-1-(2-deoxy-2-fluoro-5-O-trityl-beta-D-lyxofuranosyl)thymine
- IUPAC
- (1R,9S,10R,12S)-12-fluoro-4-methyl-10-(trityloxymethyl)-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one
Names & synonyms
Trityl-lyxofuranosyl-T128114-99-82,3'-Anhydro-1-(2-deoxy-2-fluoro-5-O-trityl-beta-D-lyxofuranosyl)thymineCHEMBL3144330DTXSID50155812fluoro-methyl-(trityloxymethyl)[?]one2,3'-Anhydro-1-(2-deoxy-2-fluoro-5-O-trityl-.beta.-D-lyxofuranosyl)thymine(2S,3R,5R,11S)-11-Fluoro-8-methyl-3-[(triphenylmethoxy)methyl]-2,3-dihydro-5H,9H-2,5-methanopyrimido[2,1-b][1,5,3]dioxazepin-9-one
Database identifiers
- CAS
128114-99-8- PubChem CID
- 453029
- DTXSID
DTXSID50155812- ChEMBL
CHEMBL3144330
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 827
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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