1-(2,3-Dideoxy-2-fluoro-5-O-trityl-beta-D-erythro-pentofuranosyl)thymine

HCID 453041

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Basic information

CAS: 132776-30-8
Standard SMILES: Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@H]2F)c(=O)[nH]c1=O
InChIKey: IPKPAMZRQGPDFZ-ZWEKWIFMSA-N
Molecular formula: C29H27FN2O4
Average molar mass: 486.5 g/mol
Monoisotopic mass: 486.19548551

Names & identifiers

Preferred name: 1-(2,3-Dideoxy-2-fluoro-5-O-trityl-beta-D-erythro-pentofuranosyl)thymine
IUPAC: 1-[(2R,3R,5S)-3-fluoro-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Names & synonyms

ddF-Trityl-pentofuranosyl-T132776-30-81-(2,3-Dideoxy-2-fluoro-5-O-trityl-beta-D-erythro-pentofuranosyl)thymineCHEMBL2115409DTXSID201577873'-Deoxy-2'-fluoro-5'-O-(triphenylmethyl)thymidine1-(2,3-Dideoxy-2-fluoro-5-O-trityl-.beta.-D-erythro-pentofuranosyl)thymine1-[(2R,3R,5S)-3-fluoro-5-(trityloxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Database identifiers

CAS: 132776-30-8
PubChem CID: 453041
DTXSID: DTXSID20157787
ChEMBL: CHEMBL2115409

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 67.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 36
Formal charge: 0
Complexity: 769

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