chempirical

Lactobionic acid

C12H22O12CAS 96-82-2358.30 g/mol

Open in Covalent MOL file
OOHOHOHOOHOHOHOOHHOOH
AcetalAlcoholCarboxylic acidEther

Properties

Molecular formula
C12H22O12
Molar mass
358.30 g/mol
Exact mass
358.1111 Da
Melting point
80 °C
logP
-5.67Crippen estimate
Polar surface area
217.6 Ų
H-bond donors / acceptors
9 / 11
Rotatable bonds
8
Stereocentres
R, R, R, S, R, R, S, R, Rin SMILES atom order

Identifiers

CAS number
96-82-2
SMILES
O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
InChIKey
JYTUSYBCFIZPBE-AMTLMPIISA-N
InChI
InChI=1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,12+/m1/s1

Weigh it out

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

Names and synonyms

7 names
  • D-Gluconic acid, 4-O-β-D-galactopyranosyl-
  • Lactonic acid
  • 4-O-β-D-Galactopyranosyl-D-gluconic acid
  • 4-(β-D-Galactosido)-D-gluconic acid
  • D-Lactobionic acid
  • Galactosylgluconic acid
  • 4-O-β-Galactopyranosyl-D-gluconic acid

Work with Lactobionic acid

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

Lactitol585-86-468 % similar Maltitol585-88-668 % similar Lactulose4618-18-267 % similar Lactitol monohydrate81025-04-963 % similar Cellobiose528-50-760 % similar Lactose63-42-360 % similar Maltose69-79-460 % similar Maltotriose1109-28-056 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia