BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Sucrose

Graphical representations:

Sucrose image

Molecular Formula: C12 H22 O11

Natural Isotopic Abundance Mass: 342.2964800000

Mono-Isotopic Molecular Masses:

  • C12N14: 342.116211549
  • C13N14: 354.156469603
  • C12N15: 342.116211549
  • C13N15: 354.156469603

InCHi String:

isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O

canonical SMILES: C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O

IUPAC
(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

IUPAC traditional
(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol

IUPAC cas: IUPAC openeye
(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

PubChem Substance (SID):   85164953   148828   3389
PubChem Compound (CID):   5988
KEGG: Compound ID   C00089
CAS Registry IDs:   100405-08-1   104242-10-6   131932-12-2   146054-35-5   146187-04-4   151756-02-4   220376-22-7   29253-78-9   29764-06-5   30027-72-6   47167-52-2   47185-09-1   47257-91-0   50857-68-6   51909-69-4   57-50-1   64533-66-0   65545-99-5   75398-84-4   76056-38-7   78654-77-0   80165-03-3   8027-47-
PDB Chemical Component   SUC
Miscellaneous Databases and IDs:   CHEBI 17992   EINECS 200-334-9   CCRIS 2120   HSDB 500   NSC 406942

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.