chempirical

Sodium lactobionate

C12H21NaO12CAS 27297-39-8380.28 g/mol

Open in Covalent MOL file
OOOHOHOO−HOHOOHOHOHOHNa+
AcetalAlcoholCarboxylic acidEther

Properties

Molecular formula
C12H21NaO12
Molar mass
380.28 g/mol
Exact mass
380.0931 Da
logP
-10.00Crippen estimate
Polar surface area
220.4 Ų
H-bond donors / acceptors
8 / 12
Rotatable bonds
8
Stereocentres
R, R, S, R, S, R, R, R, Rin SMILES atom order

Identifiers

CAS number
27297-39-8
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O.[Na+]
InChIKey
AQKFVNLHZYOMKQ-WWNCWODVSA-M
InChI
InChI=1S/C12H22O12.Na/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);/q;+1/p-1/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.

Work with Sodium lactobionate

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

Lactobionic acid96-82-269 % similar Sodium α-glucoheptonate13007-85-762 % similar Sodium glucoheptonate31138-65-562 % similar Lactulose4618-18-261 % similar Sodium gluconate527-07-160 % similar Lactitol585-86-460 % similar Maltitol585-88-660 % similar Lactitol monohydrate81025-04-956 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook