chempirical

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

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

Weigh it out

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

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

Similar compounds

Manninotriose13382-86-095 % similar Xylobiose6860-47-590 % similar Isomaltitol534-73-670 % similar Isomalt64519-82-070 % similar Lactose63-42-367 % similar Maltose69-79-467 % similar Maltotriose1109-28-063 % similar Maltotetraose34612-38-963 % 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 Isomaltose499-40-1 Cellobiose528-50-7 Turanose547-25-1 Gentiobiose554-91-6 Sucrose57-50-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia