1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione

HCID 514809

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Basic information

CAS: 95740-25-3
Standard SMILES: CS(C)(C)C#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O
InChIKey: QWBSNUBFTGFUNX-LSCVPOLPSA-N
Molecular formula: C14H19FN2O5S
Average molar mass: 346.38 g/mol
Monoisotopic mass: 346.09987105

Names & identifiers

Preferred name: 1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione
IUPAC: 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(trimethyl-λ4-sulfanyl)ethynyl]pyrimidine-2,4-dione

Names & synonyms

1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione95740-25-3DTXSID002419511-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-[(trimethyl-lambda~4~-sulfanyl)ethynyl]pyrimidine-2,4(1H,3H)-dione1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[2-(trimethyl-$l^{4}-sulfanyl)ethynyl]pyrimidine-2,4-dione

Database identifiers

CAS: 95740-25-3
PubChem CID: 514809
DTXSID: DTXSID00241951

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 100 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 618

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