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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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D-Glucose; Glucose; .alpha.-D-Glucose; alpha-Dextrose; alpha-D-Glucopyranose; alpha-D-Glucose; Dextrose; D-gluco-hexose; D-gluose; glucoses; Grape sugar
Molecular Formula: C6 H12 O6
Natural Isotopic Abundance Mass: 180.1558800000
Mono-Isotopic Molecular Masses:
InChI String: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
canonical SMILES: C(C1C(C(C(C(O1)O)O)O)O)O
IUPAC
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
IUPAC traditional
(2S,3R,4S,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol
IUPAC cas: IUPAC openeye
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773