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

Sucrose bmse000119 - Data bmse000804 - Data bmse000918 - Data

Sucrose synonyms

Sucrose, pure; Sucrose, dust; alpha-D-Glucopyranoside, beta-D-fructofuranosyl; Granulated sugar; 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside; Sugar; Fructofuranoside, alpha-D-glucopyranosyl, beta-D; Microse; D-Sucrose; Amerfond; White sugar

Wikipedia:

Graphical representations:

sucrose

View large 3D structure

Molecular Formula: C12H22O11

Natural Isotopic Abundance Mass: 342.2964800000

Mono-Isotopic Molecular Masses:

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

InChI string: InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1

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

PubChem Compound (CID): 5988
KEGG Compound ID: C00089
CAS Registry number: 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-
ChEBI: 17992
EINECS: 200-334-9
CCRIS: 2120
HSDB: 500
NSC: 406942
PDB Compound ID: SUC

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (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)