Basic information
- Standard SMILES
O=C(NCC#Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O)C(F)(F)F- InChIKey
YZMXEAFWOQOJCL-VHSXEESVSA-N- Molecular formula
- C14H14F3N3O5
- Average molar mass
- 361.27 g/mol
Names & identifiers
- Preferred name
- 5-TFA-ap-ddU
- IUPAC
- 2,2,2-trifluoro-N-[3-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]acetamide
Names & synonyms
114748-60-65-TFA-ap-ddU5-TFA-ap-2',3'-Dideoxyuridine2',3'-Dideoxy-5-[3-[(trifluoroacetyl)amino]-1-propyn-1-yl]-Uridine2,2,2-trifluoro-N-[3-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]acetamideSCHEMBL84763672,2,2-Trifluoro-N-(3-(1-((2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-yn-1-yl)acetamideAC-323275-(3-trifluoroacetamido-1-propynyl)-2', 3'-dideoxyuridine2',3'-Dideoxy-5-[3-[(trifluoroacetyl)amino]-1-propynyl]uridine5-(3-TRIFLUOROACETAMIDO-1-PROPYNYL)-2',3'-DIDEOXYURIDINE5-(3-TRIFLUOROACETAMIDO-1-PROPYNYL)2',3'-DIDEOXYURIDINE
Database identifiers
- PubChem CID
- 14768541
- Nikkaji
- J2.239.571H
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 676
Related reactions
17 records
Compound notes
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