BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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D-(+)-Glucuronic acid G-lactone

Graphical representations:

D-(+)-Glucuronic acid G-lactone image

Molecular Formula: C6 H8 O6

Natural Isotopic Abundance Mass: 176.12412

Mono-Isotopic Molecular Masses:

  • C12N14: 176.0320879894
  • C13N14: 182.0522170162
  • C12N15: 176.0320879894
  • C13N15: 182.0522170162

InCHi String: InChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H/t1-,2-,3-,4-,5?/m1/s1

canonical SMILES: C1(C2C(C(C(=O)O2)O)OC1O)O

isomeric SMILES: [C@@H]12[C@@H]([C@H](C(=O)O1)O)OC([C@@H]2O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
(3R,3aR,6R,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

PUBCHEM iupac SYSTEMATIC NAME
(3R,3aR,6R,6aR)-2,3,6-tris(oxidanyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

PubChem Substance (SID):   160963342   24888207   139877293
PubChem Compound (CID):   439782
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 32449-92-6   Beilstein Registry Number 83595   EC Number 251-053-3   MMCD cq_09458   Sigma-Aldrich 851450_ALDRICH

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.