β-Lactose

C₁₂H₂₂O₁₁CAS 5965-66-2342.30 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₁₂H₂₂O₁₁
Molar mass: 342.30 g/mol
Exact mass: 342.1162 Da
Melting point: 254 °C
logP: -5.40Crippen estimate
Polar surface area: 189.5 Å²
H-bond donors / acceptors: 8 / 11
Rotatable bonds: 4
Stereocentres: R, S, S, R, R, R, R, R, S, Rin SMILES atom order

Identifiers

CAS number

5965-66-2

SMILES

OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O

InChIKey

GUBGYTABKSRVRQ-DCSYEGIMSA-N

InChI

InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1

Weigh it out

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

Names and synonyms

8 names

β-D-Glucopyranose, 4-O-β-D-galactopyranosyl-
Lactose, β-
4-O-β-D-Galactopyranosyl-β-D-glucopyranose
β-D-Lactose
Pharmatose DCL 40
Pharmatose DCL 21
Lactopress
β-D-Galactose-(1→4)-β-D-glucose

Work with β-Lactose

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

Lactose, monohydrate10039-26-691 % similar α-Lactose monohydrate5989-81-191 % similar α-Cyclodextrin10016-20-373 % similar γ-Cyclodextrin17465-86-073 % similar β-Cyclodextrin7585-39-973 % similar D-Galactopyranose10257-28-070 % similar β-D-Glucose492-61-570 % similar α-D-Glucose492-62-670 % 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

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