Lactobionic acid

C12H22O12CAS 96-82-2358.30 g/mol

Open in Covalent MOL file
OHOHOOHOOOHOHOHHOHOHO
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

Hazards

Not classified as hazardous under GHS by 26 ECHA notifiers. Aggregated from 26 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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

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.

Erythromycin lactobionate3847-29-8Salt Sodium lactobionate27297-39-8Salt

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