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Molecule Detail Page

Molecule name

Raffinose

Additional molecule names

English en
alpha-D-Galactosyl-(1to6)-alpha-D-glucosyl-(1to2)-beta-D-fructose
Gossypose
Melitose
RAFFIN
Chinese zh
蜜三糖
棉子糖

Molecular Structure

Properties calculated from structure

PropertyValue ?
FormulaC18H32O16
Weight504.437 [g/mol]
Complexity655.44
XLogP-6.80
TPSA268.68
#HDonors11
#HAcceptors16
Gibbs Energy -520.0 [kcal/mol]
1H NMR spectrum Predict NMR spectrum (requires installed Java plugin)
Predict NMR spectrum (requires HTML5 compatible browser)
13C NMR spectrum Predict NMR spectrum (requires HTML5 compatible browser)
Isotopic distribution Predict Isotopic distribution

Structure representations/Cross-references

PropertyValue ?
SMILESO[C@@H]3[C@H](CO)O[C@@H](OC[C@H]2O[C@@H](O[C@@]1(CO)O[C@@H](CO)[C@@H](O)[C@H]1O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H]3O
InChIInChI=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
InChI-Key InChIKey=MUPFEKGTMRGPLJ-ZQSKZDJDSA-N
KEGG ID C00492
ChEBI ID CHEBI:16634 
PubChem-CID 439242

Taxonomy

toggle 3 taxonomy entries

Most similar molecules

toggle 11 molecules (tanimoto >90%)

Reactions the molecule is involved in

toggle 4 reactions

Pathways the molecule is involved in

toggle 3 pathways