Raffinose

Raffinose bmse000221 - Data

Raffinose synonyms

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

Wikipedia:

Graphical representations:

raffinose

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, https://www.nature.com/articles/sdata201773)