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(3R,4R,5R,6R)-3-Amino-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol, 5tms

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(3R,4R,5R,6R)-3-Amino-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol, 5tms
SpectraBase Compound ID 4SPmVDWd3fZ
InChI InChI=1S/C21H53NO5Si5/c1-28(2,3)22-18-20(26-31(10,11)12)19(25-30(7,8)9)17(16-23-29(4,5)6)24-21(18)27-32(13,14)15/h17-22H,16H2,1-15H3/t17-,18-,19+,20-,21?/m1/s1
InChIKey AEFMNTFHQDMWON-AWGDKMGJSA-N
Mol Weight 540.1 g/mol
Molecular Formula C21H53NO5Si5
Exact Mass 539.277006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MS0qma3Zso
Name (3R,4R,5R,6R)-3-Amino-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol, 5tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 539.277006481 u
Formula C21H53NO5Si5
InChI InChI=1S/C21H53NO5Si5/c1-28(2,3)22-18-20(26-31(10,11)12)19(25-30(7,8)9)17(16-23-29(4,5)6)24-21(18)27-32(13,14)15/h17-22H,16H2,1-15H3/t17-,18-,19+,20-,21?/m1/s1
InChIKey AEFMNTFHQDMWON-AWGDKMGJSA-N
Molecular Weight 540.082 g/mol
SMILES [C@@]1([C@]([C@@](O[Si](C)(C)C)([C@](OC1O[Si](C)(C)C)(CO[Si](C)(C)C)[H])[H])(O[Si](C)(C)C)[H])(N[Si](C)(C)C)[H]