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

*Links on SpectraBase are not permalinks.
D-Xylulose
SpectraBase Compound ID 1GB6i1NAJHq
InChI InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5?/m1/s1
InChIKey LQXVFWRQNMEDEE-OVEKKEMJSA-N
Mol Weight 150.13 g/mol
Molecular Formula C5H10O5
Exact Mass 150.052823 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID tZPXqt0Xh6
Name D-Xylulose
Acquisition Mode SIMULTANEOUS
CAS Registry Number 551-84-8
ChEBI ID 17140
Comments 100 mM D_xylulose - vendor: Sigma x4526; 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 C5H10O5
IUPAC Name (3S,4R)-2-methyloltetrahydrofuran-2,3,4-triol; (3S,4R)-2-(hydroxymethyl)oxolane-2,3,4-triol; (3S,4R)-2-(hydroxymethyl)tetrahydrofuran-2,3,4-triol
InChI InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5?/m1/s1
InChIKey LQXVFWRQNMEDEE-OVEKKEMJSA-N
KEGG Compound ID C00310
KEGG Pathways PATH: map00040 Pentose and glucuronate interconversions
PubChem Compound ID 439204
SMILES C1C(C(C(O1)(CO)O)O)O
Source File Reference bmse000027