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xanthosine, 5TMS
SpectraBase Compound ID JWGdXGrTmZg
InChI InChI=1S/C25H52N4O6Si5/c1-36(2,3)30-16-18-20(32-37(4,5)6)21(33-38(7,8)9)24(31-18)29-17-26-19-22(29)27-25(35-40(13,14)15)28-23(19)34-39(10,11)12/h17-18,20-21,24H,16H2,1-15H3
InChIKey DHJTZDSBGMGLIM-UHFFFAOYSA-N
Mol Weight 645.1 g/mol
Molecular Formula C25H52N4O6Si5
Exact Mass 644.273318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GIY7EviBNVM
Name xanthosine, 5TMS
Alternate Name(s) Xanthine riboside, 5TMS 9 beta-D-ribofuranosylxanthine, 5TMS 9-.beta.-D-Ribofuranosylxanthine, 5TMS NSC18930, 5TMS STK246877, 5TMS 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione, 5TMS 9-(3,4-bis((trimethylsilyl)oxy)-5-(((trimethylsilyl)oxy)methyl)tetrahydrofuran-2-yl)-2,6-bis((trimethylsilyl)oxy)-9H-purine
Comments Derivatization type: 5 TMS (mass: 644.273); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001043; Note: The molecular formula of the structure shown is C10H12N4O6 - which differs from the formula reported for the mass spectrum (C25H52N4O6Si5)
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Formula C25H52N4O6Si5
InChI InChI=1S/C25H52N4O6Si5/c1-36(2,3)30-16-18-20(32-37(4,5)6)21(33-38(7,8)9)24(31-18)29-17-26-19-22(29)27-25(35-40(13,14)15)28-23(19)34-39(10,11)12/h17-18,20-21,24H,16H2,1-15H3
InChIKey DHJTZDSBGMGLIM-UHFFFAOYSA-N
Molecular Weight 645.138 g/mol
SMILES C(C1C(C(C([n]2cnc3c2nc(nc3O[Si](C)(C)C)O[Si](C)(C)C)O1)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-0032-0962000000-effbbf58f25e92ab3be7
Source of Spectrum FM-2019-1043-0
Wiley ID 1818702