chempirical

Raffinose

C18H32O16CAS 512-69-6504.44 g/mol

Open in Covalent MOL file
OHOOOOOHOHOHOHOOHOHHOOHHOHO
AcetalAlcoholEther

Properties

Molecular formula
C18H32O16
Molar mass
504.44 g/mol
Exact mass
504.1690 Da
Melting point
80 °C
logP
-7.57Crippen estimate
Polar surface area
268.7 Ų
H-bond donors / acceptors
11 / 16
Rotatable bonds
8
Stereocentres
R, S, R, R, S, R, S, S, R, S, S, R, S, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 34 ECHA notifiers. Aggregated from 34 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
512-69-6
SMILES
OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O
InChIKey
MUPFEKGTMRGPLJ-ZQSKZDJDSA-N
InChI
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • α-D-Glucopyranoside, β-D-fructofuranosyl O-α-D-galactopyranosyl-(1→6)-
  • β-D-Fructofuranosyl O-α-D-galactopyranosyl-(1→6)-α-D-glucopyranoside
  • Gossypose
  • Melitose
  • Melitriose
  • D-Raffinose
  • D-(+)-Raffinose
  • NSC 170228
  • NSC 2025
  • Nittenraffinose
  • Oligo GGF
  • Meiji beet oligo FP

Work with Raffinose

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

D-Raffinose pentahydrate17629-30-0Hydrate

Similar compounds

Stachyose tetrahydrate10094-58-393 % similar Sucrose57-50-185 % similar Epichlorohydrin-sucrose copolymer26873-85-873 % similar Nystose13133-07-870 % similar 1F-Fructofuranosylnystose59432-60-970 % similar Fructoheptasaccharide62512-20-370 % similar 6-O-α-D-Glucopyranosyl-α-D-fructofuranose58166-27-165 % similar Sucrose benzoate12738-64-661 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Maltotriose1109-28-0 Manninotriose13382-86-0 Kestose470-69-9 Melezitose597-12-6 Dextrin9004-53-9 Laminarin9008-22-4 Cellulase9012-54-8 β-D-Glucan9041-22-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia