Dataset

492-62-6[13c.dx]

492-62-6

Chemical Information

Molecular Image
InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
SMILES OCC1OC(O)C(O)C(O)C1O
InChI Key WQZGKKKJIJFFOK-UHFFFAOYSA-N
Molecular Formula C6H12O6
Exact Mass 180.160 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p10.s58.d258
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D258
Version
Author
Maintainer
Language english
MetadataPublished 2022-10-28T13:30:58.000000Z
Related Molecule
  • 6-(hydroxymethyl)oxane-2,3,4,5-tetrol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : DMSO

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm TBI 1H/31P/D-BB Z-GRD Z8704/0003

    Temperature : 298 K

    magnetic field strength : 14.09365155611028 Tesla

    number of scans : 122 scans

    nuclear magnetic resonance pulse sequence : zgdc30

    Spectral Width : 238.894703827182

    number of data points : 65536 points

    relaxation time measurement : 2 seconds

    Data-Source Molecule ID Data-Source
    CHEBI:167473 chebi
    34307 surechembl
    206 pubchem
    4536 gtopdb
    4646 gtopdb
    4650 gtopdb
    PD055411 probes_and_drugs
    ADGALA CCDC
    16531 brenda
    169985 brenda
    172499 brenda
    17663 brenda
    20942 brenda
    44225 brenda
    HMDB0250761 hmdb
    DTXSID80858960 comptox
    FDB001128 foodb
    FDB001130 foodb
    FDB010735 foodb
    FDB011420 foodb
    FDB031261 foodb
    FDB031263 foodb
    FDB031267 foodb
    FDB031289 foodb
    FDB031298 foodb
    Molport-001-780-232 molport
    The data in this table is sourced from UniChem at EBI.