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.beta.-D-Glucopyranosiduronic acid, 2-methyl-2-[[4-(methylthio)-6-[(trimethylsilyl)amino]-1,3,5-triazin-2 -yl]amino]propyl 2,3,4-tris-O-(trimethylsilyl)-, trimethylsilyl ester
SpectraBase Compound ID AUvmyN0g0tp
InChI InChI=1S/C29H63N5O7SSi5/c1-29(2,33-26-30-27(34-43(4,5)6)32-28(31-26)42-3)19-36-25-23(40-46(13,14)15)21(39-45(10,11)12)20(38-44(7,8)9)22(37-25)24(35)41-47(16,17)18/h20-23,25H,19H2,1-18H3,(H2,30,31,32,33,34)/t20-,21-,22-,23+,25+/m0/s1
InChIKey OEHSXLKGWKKVNT-FPDJOHNTSA-N
Mol Weight 766.3 g/mol
Molecular Formula C29H63N5O7SSi5
Exact Mass 765.329453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2BfwTUri4r
Name .beta.-D-Glucopyranosiduronic acid, 2-methyl-2-[[4-(methylthio)-6-[(trimethylsilyl)amino]-1,3,5-triazin-2 -yl]amino]propyl 2,3,4-tris-O-(trimethylsilyl)-, trimethylsilyl ester
CAS Registry Number 68373-40-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H63N5O7SSi5
InChI InChI=1S/C29H63N5O7SSi5/c1-29(2,33-26-30-27(34-43(4,5)6)32-28(31-26)42-3)19-36-25-23(40-46(13,14)15)21(39-45(10,11)12)20(38-44(7,8)9)22(37-25)24(35)41-47(16,17)18/h20-23,25H,19H2,1-18H3,(H2,30,31,32,33,34)/t20-,21-,22-,23+,25+/m0/s1
InChIKey OEHSXLKGWKKVNT-FPDJOHNTSA-N
Molecular Weight 766.336 g/mol
SMILES N(c1nc(nc(n1)SC)N[Si](C)(C)C)C(CO[C@@]1(O[C@@]([C@]([C@@]([C@]1(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(C(O[Si](C)(C)C)=O)[H])[H])(C)C
SPLASH splash10-00di-0090000000-3c4419ee0eb4544e38fe
Source of Spectrum KO-5-393-0
Synonyms 2-Methyl-2-({4-(methylsulfanyl)-6-[(trimethylsilyl)amino]-1,3,5-triazin-2-yl}amino)propyl trimethylsilyl 2,3,4-tris-O-(trimethylsilyl)-.beta.-D-glucopyranosiduronate PeR-TMS 4-amino-6-methylthiotriazine-2-(1,1-dimethylethylamino-.beta.-yl)-0-glucuronide
Wiley ID 1416618