5-Fluoro-1-(2-O,3-O,4-O,6-O-tetraacetyl-beta-D-glucopyranosyl)uracil

Base Information

• Chemical Name: 5-Fluoro-1-(2-O,3-O,4-O,6-O-tetraacetyl-beta-D-glucopyranosyl)uracil
• CAS No.: 17242-87-4
• Molecular Formula: C₁₈H₂₁FN₂O₁₁
• Molecular Weight: 460.37
• DSSTox Substance ID: DTXSID301132942
• Nikkaji Number: J3.341.594J

Synonyms:DTXSID301132942;AKOS030492084;17242-87-4;5-Fluoro-1-(2-O,3-O,4-O,6-O-tetraacetyl-beta-D-glucopyranosyl)uracil;5-Fluoro-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-2,4(1H,3H)-pyrimidinedione

Chemical Property of 5-Fluoro-1-(2-O,3-O,4-O,6-O-tetraacetyl-beta-D-glucopyranosyl)uracil

Chemical Property:

• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 460.11293765
• Heavy Atom Count: 32
• Complexity: 858

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)OC(=O)C)OC(=O)C)OC(=O)C
• Isomeric SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)OC(=O)C)OC(=O)C)OC(=O)C

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