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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1,4-D-xylobiose

1,4-D-xylobiose synonyms

Xylobiose; 1,4-D-xylobiose

Wikipedia:

Graphical representations:

1,4-D-xylobiose image

Molecular Formula: C10 H18 O9

Natural Isotopic Abundance Mass: 282.24452

Mono-Isotopic Molecular Masses:

  • C12N14: 282.0950821767
  • C13N14: 292.1286305547
  • C12N15: 282.0950821767
  • C13N15: 292.1286305547

InCHi String: InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9?,10+/m1/s1

canonical SMILES: C1C(C(C(C(O1)OC2COC(C(C2O)O)O)O)O)O

isomeric SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2COC([C@@H]([C@H]2O)O)O)O)O)O

PUBCHEM iupac NAME
(2S,3R,4S,5R)-2-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxane-3,4,5-triol

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
(2S,3R,4S,5R)-2-[(3R,4R,5R)-4,5,6-trihydroxytetrahydropyran-3-yl]oxytetrahydropyran-3,4,5-triol

PUBCHEM iupac CAS NAME
(2S,3R,4S,5R)-2-[[(3R,4R,5R)-4,5,6-trihydroxy-3-oxanyl]oxy]oxane-3,4,5-triol

PUBCHEM iupac SYSTEMATIC NAME
(2S,3R,4S,5R)-2-[(3R,4R,5R)-4,5,6-tris(oxidanyl)oxan-3-yl]oxyoxane-3,4,5-triol

PubChem Substance (SID):   126596833   4780
PubChem Compound (CID):   439538
KEGG: Compound ID   C01630
CAS Registry IDs:   6860-47-5
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 6860-47-5   MMCD cq_01062

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.