3'-O-Acetyl-5-(3-trifluoroacetamidopropyn-1-yl)-2'-deoxyuridine

HCID 21362290
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Basic information

Standard SMILES
CC(=O)O[C@H]1C[C@H](n2cc(C#CCNC(=O)C(F)(F)F)c(=O)[nH]c2=O)O[C@@H]1CO
InChIKey
NVABNAYHJKEJMI-QJPTWQEYSA-N
Molecular formula
C16H16F3N3O7
Average molar mass
419.31 g/mol
Monoisotopic mass
419.09403434

Names & identifiers

Preferred name
3'-O-Acetyl-5-(3-trifluoroacetamidopropyn-1-yl)-2'-deoxyuridine
IUPAC
[(2R,3S,5R)-5-[2,4-dioxo-5-[3-[(2,2,2-trifluoroacetyl)amino]prop-1-ynyl]pyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] acetate

Names & synonyms

3'-O-Acetyl-5-(3-trifluoroacetamidopropyn-1-yl)-2'-deoxyuridineSCHEMBL1566423

Database identifiers

PubChem CID
21362290

Properties

Computed structural properties

XLogP
-0.5
Topological polar surface area
134 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
6
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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