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(2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-pentoxyoxane-3,4,5-triol, 4tms

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(2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-pentoxyoxane-3,4,5-triol, 4tms
SpectraBase Compound ID 5TRV5euLrhg
InChI InChI=1S/C23H54O6Si4/c1-14-15-16-17-24-23-22(29-33(11,12)13)21(28-32(8,9)10)20(27-31(5,6)7)19(26-23)18-25-30(2,3)4/h19-23H,14-18H2,1-13H3/t19-,20-,21+,22-,23-/m1/s1
InChIKey QSEZENKXLLGURT-XNBWIAOKSA-N
Mol Weight 539.0 g/mol
Molecular Formula C23H54O6Si4
Exact Mass 538.299746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1I338Mp18X9
Name (2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-pentoxyoxane-3,4,5-triol, 4tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 538.299745593 u
Formula C23H54O6Si4
InChI InChI=1S/C23H54O6Si4/c1-14-15-16-17-24-23-22(29-33(11,12)13)21(28-32(8,9)10)20(27-31(5,6)7)19(26-23)18-25-30(2,3)4/h19-23H,14-18H2,1-13H3/t19-,20-,21+,22-,23-/m1/s1
InChIKey QSEZENKXLLGURT-XNBWIAOKSA-N
Molecular Weight 539.019 g/mol
SMILES [C@]1(OCCCCC)(O[C@@]([C@]([C@@]([C@]1(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(CO[Si](C)(C)C)[H])[H]