Biological Magnetic Resonance Data Bank

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


Raffinose synonyms

Melitriose; 6G-alpha-D-galactosylsucrose; Gossypose; Melitose


Graphical representations:


View large 3D structure

Molecular Formula: C18H32O16

Natural Isotopic Abundance Mass: 504.4370800000

Mono-Isotopic Molecular Masses:

  • C12N14: 504.169034981
  • C13N14: 522.229422061
  • C12N15: 504.169034981
  • C13N15: 522.229422061

InChI string: InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/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-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol

PubChem Compound (CID): 439242
KEGG Compound ID: C00492
CAS Registry number: 512-69-6
ChEBI: 16634
PDB Compound ID: RAF

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,