Melibiose

C12H22O11CAS 585-99-9342.30 g/mol

Open in Covalent MOL file
OOHHOHOHOOOOHOHOHHO
AcetalAlcoholAldehydeEther

Properties

Molecular formula
C12H22O11
Molar mass
342.30 g/mol
Exact mass
342.1162 Da
Melting point
84 °C
logP
-5.55Crippen estimate
Polar surface area
197.4 Ų
H-bond donors / acceptors
8 / 11
Rotatable bonds
8
Stereocentres
R, S, R, R, S, R, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
585-99-9
SMILES
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIKey
AYRXSINWFIIFAE-GFRRCQKTSA-N
InChI
InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h1,4-12,14-21H,2-3H2/t4-,5+,6+,7+,8+,9-,10-,11+,12-/m0/s1

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Names and synonyms

5 names
  • D-Glucose, 6-O-α-D-galactopyranosyl-
  • 6-O-α-D-Galactopyranosyl-D-glucose
  • D-Melibiose
  • NSC 2028
  • D-(+)-Melibiose

Work with Melibiose

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.

Gentiobiose554-91-6Diastereomer Isomaltose499-40-1Diastereomer

Similar compounds

Manninotriose13382-86-095 % similar Xylobiose6860-47-590 % similar Xylopentaose49694-20-488 % similar Isomaltitol534-73-670 % similar Isomalt64519-82-070 % similar Lactose63-42-367 % similar Maltose69-79-467 % similar Maltotriose1109-28-063 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isomaltulose13718-94-0 α-D-Lactose14641-93-1 Lactulose4618-18-2 Cellobiose528-50-7 Turanose547-25-1 Sucrose57-50-1

Elsewhere

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