For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Sucrose-6-phosphate, 9TMS

View entire compound with spectra: 1 MS (GC)

Sucrose-6-phosphate, 9TMS
SpectraBase Compound ID DyajhGeQ6HQ
InChI InChI=1S/C39H95O14PSi9/c1-55(2,3)42-29-31-33(47-57(7,8)9)35(49-59(13,14)15)36(50-60(16,17)18)38(44-31)46-39(30-43-56(4,5)6)37(51-61(19,20)21)34(48-58(10,11)12)32(45-39)28-41-54(40,52-62(22,23)24)53-63(25,26)27/h31-38H,28-30H2,1-27H3/t31-,32-,33-,34-,35+,36-,37+,38-,39+/m1/s1
InChIKey OYKJUMQXRZYLMJ-PMDGWJKGSA-N
Mol Weight 1071.9 g/mol
Molecular Formula C39H95O14PSi9
Exact Mass 1070.438284 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2QbnvHbtClD
Name Sucrose-6-phosphate, 9TMS
Alternate Name(s) Sucrose 6-phosphate, 9TMS Sugar 1-phosphate, 9TMS Sucrose 6F-phosphate, 9TMS Sucrose 6(F)-phosphate, 9TMS SUCROSE-6-PHOSHPATE, 9TMS CHEBI:16308, 9TMS [(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl dihydrogen phosphate, 9TMS ((2R,3R,4S,5S)-3,4-bis((trimethylsilyl)oxy)-5-(((trimethylsilyl)oxy)methyl)-5-(((2R,3R,4S,5R,6R)-3,4,5-tris((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydrofuran-2-yl)methyl bis(trimethylsilyl) phosphate
Comments Derivatization type: 9 TMS (mass: 1070.438); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001077; Note: The molecular formula of the structure shown is C12H23O14P - which differs from the formula reported for the mass spectrum (C39H95O14PSi9)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H95O14PSi9
InChI InChI=1S/C39H95O14PSi9/c1-55(2,3)42-29-31-33(47-57(7,8)9)35(49-59(13,14)15)36(50-60(16,17)18)38(44-31)46-39(30-43-56(4,5)6)37(51-61(19,20)21)34(48-58(10,11)12)32(45-39)28-41-54(40,52-62(22,23)24)53-63(25,26)27/h31-38H,28-30H2,1-27H3/t31-,32-,33-,34-,35+,36-,37+,38-,39+/m1/s1
InChIKey OYKJUMQXRZYLMJ-PMDGWJKGSA-N
Molecular Weight 1071.914 g/mol
SMILES C([C@@]1([C@]([C@@]([C@]([C@](O1)(O[C@@]1(CO[Si](C)(C)C)[C@]([C@@]([C@@](COP(O[Si](C)(C)C)(O[Si](C)(C)C)=O)(O1)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])O[Si](C)(C)C
SPLASH splash10-01ba-0953000000-ad775a2a79e26f18bf1c
Source of Spectrum FM-2019-1077-0
Wiley ID 1818735