1-(2,3-Dideoxy-2-fluoro-alpha-D-glycero-pent-2-eno-furanosyl)5-methylcytosine
Basic information
- CAS
405238-94-0- Standard SMILES
Cc1cn([C@H]2O[C@H](CO)C=C2F)c(=O)nc1N- InChIKey
FXTDBSIYZJHNDH-RCOVLWMOSA-N- Molecular formula
- C10H12FN3O3
- Average molar mass
- 241.22 g/mol
- Monoisotopic mass
- 241.08626942
Names & identifiers
- Preferred name
- 1-(2,3-Dideoxy-2-fluoro-alpha-D-glycero-pent-2-eno-furanosyl)5-methylcytosine
- IUPAC
- 4-amino-1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidin-2-one
Names & synonyms
405238-94-01-(2,3-Dideoxy-2-fluoro-alpha-D-glycero-pent-2-eno-furanosyl)5-methylcytosineCHEMBL515437DTXSID501935521-(2,3-Dideoxy-2-fluoro-.alpha.-D-glycero-pent-2-eno-furanosyl)5-methylcytosine4-amino-1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-pyrimidin-2-one4-Amino-1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidin-2(1H)-one
Database identifiers
- CAS
405238-94-0- PubChem CID
- 462686
- DTXSID
DTXSID50193552- ChEMBL
CHEMBL515437- Nikkaji
- J1.720.399A
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…