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.beta.-D-Glucopyranosiduronic acid, 2-[[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]amino]-2-methylp ropyl 2,3,4-tris-O-(trimethylsilyl)-, trimethylsilyl ester
SpectraBase Compound ID EPm96Au44za
InChI InChI=1S/C28H59N5O7SSi4/c1-17-29-25-30-26(32-27(31-25)41-4)33-28(2,3)18-35-24-22(39-44(11,12)13)20(38-43(8,9)10)19(37-42(5,6)7)21(36-24)23(34)40-45(14,15)16/h19-22,24H,17-18H2,1-16H3,(H2,29,30,31,32,33)
InChIKey WYIQMPHDOXNOQR-UHFFFAOYSA-N
Mol Weight 722.2 g/mol
Molecular Formula C28H59N5O7SSi4
Exact Mass 721.321227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AmGiSVwBLnq
Name .beta.-D-Glucopyranosiduronic acid, 2-[[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]amino]-2-methylp ropyl 2,3,4-tris-O-(trimethylsilyl)-, trimethylsilyl ester
CAS Registry Number 68404-56-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H59N5O7SSi4
InChI InChI=1S/C28H59N5O7SSi4/c1-17-29-25-30-26(32-27(31-25)41-4)33-28(2,3)18-35-24-22(39-44(11,12)13)20(38-43(8,9)10)19(37-42(5,6)7)21(36-24)23(34)40-45(14,15)16/h19-22,24H,17-18H2,1-16H3,(H2,29,30,31,32,33)
InChIKey WYIQMPHDOXNOQR-UHFFFAOYSA-N
Molecular Weight 722.208 g/mol
SMILES N(c1nc(nc(n1)SC)NCC)C(COC1OC(C(C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=O)(C)C
SPLASH splash10-004i-0090000200-044d5963f3c32ae251e2
Source of Spectrum KO-5-393-0
Synonyms 2-{[4-(ethylamino)-6-(methylsulfanyl)-1,3,5-triazin-2-yl]amino}-2-methylpropyl trimethylsilyl 2,3,4-tris-O-(trimethylsilyl)hexopyranosiduronate PeR-TMS 4-ethylamino-6-methylthiotriazine-2-(1,1-dimethylethyl amino-.beta.-yl) O-glucuronide
Wiley ID 1415659