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inosine 5'-monophosphate, 5TMS
SpectraBase Compound ID 4xN3aHFNYKJ
InChI InChI=1S/C25H53N4O8PSi5/c1-39(2,3)33-21-19(16-31-38(30,36-42(10,11)12)37-43(13,14)15)32-25(22(21)34-40(4,5)6)29-18-28-20-23(29)26-17-27-24(20)35-41(7,8)9/h17-19,21-22,25H,16H2,1-15H3/t19-,21-,22-,25-/m1/s1
InChIKey HHRWZMFMIFMUOO-PTGPVQHPSA-N
Mol Weight 709.1 g/mol
Molecular Formula C25H53N4O8PSi5
Exact Mass 708.244734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9phBSAX0u5v
Name inosine 5'-monophosphate, 5TMS
Comments Derivatization type: 5 TMS (mass: 708.245); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000940; Note: The molecular formula of the structure shown is C10H13N4O8P - which differs from the formula reported for the mass spectrum (C25H53N4O8PSi5)
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Formula C25H53N4O8PSi5
InChI InChI=1S/C25H53N4O8PSi5/c1-39(2,3)33-21-19(16-31-38(30,36-42(10,11)12)37-43(13,14)15)32-25(22(21)34-40(4,5)6)29-18-28-20-23(29)26-17-27-24(20)35-41(7,8)9/h17-19,21-22,25H,16H2,1-15H3/t19-,21-,22-,25-/m1/s1
InChIKey HHRWZMFMIFMUOO-PTGPVQHPSA-N
Molecular Weight 709.118 g/mol
SMILES C([C@@]1([C@]([C@]([C@]([n]2cnc3c2ncnc3O[Si](C)(C)C)(O1)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])OP(O[Si](C)(C)C)(O[Si](C)(C)C)=O
SPLASH splash10-014i-0952000000-240bf898db7f932db317
Source of Spectrum FM-2019-940-0
Synonyms Inosinic acid, 5TMS 5'-inosinic acid, 5TMS Polyinosine, 5TMS 5'-inosinate, 5TMS inosine monophosphate, 5TMS PolyI, 5TMS Inosine 5'-monophosphate, 5TMS [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate, 5TMS ((2R,3R,4R,5R)-3,4-bis((trimethylsilyl)oxy)-5-(6-((trimethylsilyl)oxy)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl bis(trimethylsilyl) phosphate
Wiley ID 1818604