1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine

HCID 453028

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Basic information

CAS: 128114-98-7
Standard SMILES: Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](OS(C)(=O)=O)[C@@H]2F)c(=O)[nH]c1=O
InChIKey: UAARHHOLHGXMMT-IYOUEGCASA-N
Molecular formula: C30H29FN2O7S
Average molar mass: 580.6 g/mol
Monoisotopic mass: 580.1679506

Names & identifiers

Preferred name: 1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine
IUPAC: [(2R,3R,4S,5R)-4-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] methanesulfonate

Names & synonyms

3'-O-Mesyl-5'-O-trityl-FMAU128114-98-71-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymineSCHEMBL2583179CHEMBL3144233DTXSID901558111-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-.beta.-D-arabinofuranosyl)thymine[(2R,3R,4S,5R)-4-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-(trityloxymethyl)tetrahydrofuran-3-yl] methanesulfonate1-[2-Deoxy-2-fluoro-3-O-(methanesulfonyl)-5-O-(triphenylmethyl)-beta-D-arabinofuranosyl]-5-methylpyrimidine-2,4(1H,3H)-dione

Database identifiers

CAS: 128114-98-7
PubChem CID: 453028
DTXSID: DTXSID90155811
ChEMBL: CHEMBL3144233

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 120 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 41
Formal charge: 0
Complexity: 1,030

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