5-(12-Trifluoroacetamido1-dodecynyl)-2',3'-dideoxyuridine

HCID 14768545
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Basic information

Standard SMILES
O=C(NCCCCCCCCCCC#Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O)C(F)(F)F
InChIKey
OELSHIAEBTXDEC-RBUKOAKNSA-N
Molecular formula
C23H32F3N3O5
Average molar mass
487.5 g/mol

Names & identifiers

Preferred name
5-(12-Trifluoroacetamido1-dodecynyl)-2',3'-dideoxyuridine
IUPAC
2,2,2-trifluoro-N-[12-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]dodec-11-ynyl]acetamide

Names & synonyms

5-(12-TRIFLUOROACETAMIDO1-DODECYNYL)-2',3'-DIDEOXYURIDINESCHEMBL93724705-(12-Trifluoroacetamido-1-dodecynyl)-2',3'-dideoxyuridine2',3'-Dideoxy-5-[12-(trifluoroacetyl)amino]-1-dodecynyl]uridine115899-44-0

Database identifiers

PubChem CID
14768545

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
108 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
13
Heavy atoms
34

Related reactions

2 records
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Compound notes

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