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D(+)-Sorbose
SpectraBase Compound ID IDlyeTR9gIS
InChI InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6?/m1/s1
InChIKey LKDRXBCSQODPBY-IANNHFEVSA-N
Mol Weight 180.16 g/mol
Molecular Formula C6H12O6
Exact Mass 180.063388 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CyXAymkBD9S
Name D-(+)-Sorbose
Acquisition Mode SIMULTANEOUS
CAS Registry Number 3615-56-3
ChEBI ID 17317
Comments 100 mM d-(+) sorbose - vendor: Sigma s4887; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C6H12O6
IUPAC Name (3R,4S,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol; (3R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3R,4S,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol
InChI InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6?/m1/s1
InChIKey LKDRXBCSQODPBY-IANNHFEVSA-N
KEGG Compound ID C00764
PubChem Compound ID 439304
SMILES C1C(C(C(C(O1)(CO)O)O)O)O
Source File Reference bmse000022