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Adenosine, 2'-deoxy-3'-O-[(1,1-dimethylethyl)dimethlsilyl]-N-(trifluoroacetyl)-, 5'-(trifluoroacetate)
SpectraBase Compound ID hBAX808yLH
InChI InChI=1S/C20H25F6N5O5Si/c1-18(2,3)37(4,5)36-10-6-12(35-11(10)7-34-17(33)20(24,25)26)31-9-29-13-14(27-8-28-15(13)31)30-16(32)19(21,22)23/h8-12H,6-7H2,1-5H3,(H,27,28,30,32)/t10-,11+,12+/m0/s1
InChIKey PFBAEXNLUWINEL-QJPTWQEYSA-N
Mol Weight 557.53 g/mol
Molecular Formula C20H25F6N5O5Si
Exact Mass 557.152914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSZbw7AjXgE
Name Adenosine, 2'-deoxy-3'-O-[(1,1-dimethylethyl)dimethlsilyl]-N-(trifluoroacetyl)-, 5'-(trifluoroacetate)
CAS Registry Number 76223-14-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25F6N5O5Si
InChI InChI=1S/C20H25F6N5O5Si/c1-18(2,3)37(4,5)36-10-6-12(35-11(10)7-34-17(33)20(24,25)26)31-9-29-13-14(27-8-28-15(13)31)30-16(32)19(21,22)23/h8-12H,6-7H2,1-5H3,(H,27,28,30,32)/t10-,11+,12+/m0/s1
InChIKey PFBAEXNLUWINEL-QJPTWQEYSA-N
Molecular Weight 557.525 g/mol
SMILES N(c1c2c([n]([C@@]3(O[C@](COC(C(F)(F)F)=O)([C@](C3)(O[Si](C(C)(C)C)(C)C)[H])[H])[H])cn2)ncn1)C(C(F)(F)F)=O
SPLASH splash10-0h7i-9520010000-af6ebdd29bbf6b729ec1
Source of Spectrum 0-16-132-3
Synonyms 3'-O-tert-butyldimethylsilyl-5'-O-trifluoroacetyl-6-(trifluoroacetyl)amino-2'-deoxyadenosine [(2R,3S,5R)-3-[(tert-butyldimethylsilyl)oxy]-5-[6-(2,2,2-trifluoroacetamido)-9H-purin-9-yl]oxolan-2-yl]methyl 2,2,2-trifluoroacetate
Wiley ID 1406467