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Adenosine, 2'-deoxy-N-(trifluoroacetyl)-, 3',5'-bis(trifluoroacetate)
SpectraBase Compound ID DdusyvlTLEc
InChI InChI=1S/C16H10F9N5O6/c17-14(18,19)11(31)29-9-8-10(27-3-26-9)30(4-28-8)7-1-5(36-13(33)16(23,24)25)6(35-7)2-34-12(32)15(20,21)22/h3-7H,1-2H2,(H,26,27,29,31)
InChIKey BNSWSPZQTNYLGI-UHFFFAOYSA-N
Mol Weight 539.27 g/mol
Molecular Formula C16H10F9N5O6
Exact Mass 539.048737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9RfgJGNuTo
Name Adenosine, 2'-deoxy-N-(trifluoroacetyl)-, 3',5'-bis(trifluoroacetate)
Alternate Name(s) [5-[6-[(2,2,2-trifluoroacetyl)amino]purin-9-yl]-3-(2,2,2-trifluoroacetyl)oxy-tetrahydrofuran-2-yl]methyl 2,2,2-trifluoroacetate [5-[6-[(2,2,2-trifluoroacetyl)amino]purin-9-yl]-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate [5-[6-[2,2,2-tris(fluoranyl)ethanoylamino]purin-9-yl]-3-[2,2,2-tris(fluoranyl)ethanoyloxy]oxolan-2-yl]methyl 2,2,2-tris(fluoranyl)ethanoate 2,2,2-trifluoroacetic acid [3-(2,2,2-trifluoro-1-oxoethoxy)-5-[6-[(2,2,2-trifluoro-1-oxoethyl)amino]-9-purinyl]-2-oxolanyl]methyl ester
CAS Registry Number 35170-10-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10F9N5O6
InChI InChI=1S/C16H10F9N5O6/c17-14(18,19)11(31)29-9-8-10(27-3-26-9)30(4-28-8)7-1-5(36-13(33)16(23,24)25)6(35-7)2-34-12(32)15(20,21)22/h3-7H,1-2H2,(H,26,27,29,31)
InChIKey BNSWSPZQTNYLGI-UHFFFAOYSA-N
Molecular Weight 539.271 g/mol
SMILES N(c1c2c(ncn1)[n](cn2)C1CC(C(COC(C(F)(F)F)=O)O1)OC(C(F)(F)F)=O)C(C(F)(F)F)=O
SPLASH splash10-02ai-9840000000-997ec48ff907dddb375b
Source of Spectrum D-10-3971-3
Wiley ID 1404436