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Cytidine, 2'-deoxy-N-(trifluoroacetyl)-, 3',5'-bis(trifluoroacetate)
SpectraBase Compound ID LTOjHNEOH
InChI InChI=1S/C15H10F9N3O7/c16-13(17,18)9(28)25-7-1-2-27(12(31)26-7)8-3-5(34-11(30)15(22,23)24)6(33-8)4-32-10(29)14(19,20)21/h1-2,5-6,8H,3-4H2,(H,25,26,28,31)
InChIKey FSRWMUNYVVLXME-UHFFFAOYSA-N
Mol Weight 515.24 g/mol
Molecular Formula C15H10F9N3O7
Exact Mass 515.037503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID UHD0NYg9A
Name Cytidine, 2'-deoxy-N-(trifluoroacetyl)-, 3',5'-bis(trifluoroacetate)
CAS Registry Number 35221-99-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H10F9N3O7
InChI InChI=1S/C15H10F9N3O7/c16-13(17,18)9(28)25-7-1-2-27(12(31)26-7)8-3-5(34-11(30)15(22,23)24)6(33-8)4-32-10(29)14(19,20)21/h1-2,5-6,8H,3-4H2,(H,25,26,28,31)
InChIKey FSRWMUNYVVLXME-UHFFFAOYSA-N
Molecular Weight 515.245 g/mol
SMILES N(C=1C=CN(C(N1)=O)C1CC(C(COC(C(F)(F)F)=O)O1)OC(C(F)(F)F)=O)C(C(F)(F)F)=O
SPLASH splash10-0pwj-9420000000-3e4a4fbf87b957dbad21
Source of Spectrum D-10-3971-2
Synonyms N4,O3'',O5'-Tris(trifluoroacetyl)-2'-deoxycytidine [5-[2-oxidanylidene-4-[2,2,2-tris(fluoranyl)ethanoylamino]pyrimidin-1-yl]-3-[2,2,2-tris(fluoranyl)ethanoyloxy]oxolan-2-yl]methyl 2,2,2-tris(fluoranyl)ethanoate [5-[2-oxo-4-[(2,2,2-trifluoroacetyl)amino]pyrimidin-1-yl]-3-(2,2,2-trifluoroacetyl)oxy-tetrahydrofuran-2-yl]methyl 2,2,2-trifluoroacetate [5-[2-oxo-4-[(2,2,2-trifluoroacetyl)amino]pyrimidin-1-yl]-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate 2,2,2-trifluoroacetic acid [5-[2-oxo-4-[(2,2,2-trifluoro-1-oxoethyl)amino]-1-pyrimidinyl]-3-(2,2,2-trifluoro-1-oxoethoxy)-2-oxolanyl]methyl ester
Wiley ID 1401260