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1,3-Propylene(1,2,3,4-tetra-o-acetyl-beta-D-glucopyranoso-6)thionophosphate

View entire compound with spectra: 2 NMR

1,3-Propylene(1,2,3,4-tetra-o-acetyl-beta-D-glucopyranoso-6)thionophosphate
SpectraBase Compound ID FDvOIhGayd8
InChI InChI=1S/C17H25O12PS/c1-9(18)25-14-13(8-24-30(31)22-6-5-7-23-30)29-17(28-12(4)21)16(27-11(3)20)15(14)26-10(2)19/h13-17H,5-8H2,1-4H3/t13-,14-,15+,16-,17-/m1/s1
InChIKey BMWCKUUPGYPHJO-NQNKBUKLSA-N
Mol Weight 484.41 g/mol
Molecular Formula C17H25O12PS
Exact Mass 484.080434 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L7elKAlvOcE
Name 1,3-Propylene(1,2,3,4-tetra-o-acetyl-beta-D-glucopyranoso-6)thionophosphate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.080434405 u
Formula C17H25O12PS
InChI InChI=1S/C17H25O12PS/c1-9(18)25-14-13(8-24-30(31)22-6-5-7-23-30)29-17(28-12(4)21)16(27-11(3)20)15(14)26-10(2)19/h13-17H,5-8H2,1-4H3/t13-,14-,15+,16-,17-/m1/s1
InChIKey BMWCKUUPGYPHJO-NQNKBUKLSA-N
Molecular Weight 484.409 g/mol
SMILES [C@@]1([C@]([C@@]([C@](O[C@]1(OC(=O)C)[H])(COP1(OCCCO1)=S)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H]