1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine

HCID 453024

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Basic information

CAS: 132776-20-6
Standard SMILES: Cc1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](F)[C@@H]2F)c(=O)[nH]c1=O
InChIKey: BQAZBEVMDFZUOP-GUIRCDHDSA-N
Molecular formula: C17H16F2N2O5
Average molar mass: 366.32 g/mol
Monoisotopic mass: 366.10272794

Names & identifiers

Preferred name: 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine
IUPAC: [(2R,3R,4R,5R)-3,4-difluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate

Names & synonyms

2',3'-F-arabino nucleoside132776-20-61-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymineDTXSID901577791-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-.beta.-D-arabinofuranosyl)thymine[(2R,3R,4R,5R)-3,4-difluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione

Database identifiers

CAS: 132776-20-6
PubChem CID: 453024
DTXSID: DTXSID90157779

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 84.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 620

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