Lactose, monohydrate

C₁₂H₂₄O₁₂CAS 10039-26-6360.31 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₁₂H₂₄O₁₂
Molar mass: 360.31 g/mol
Exact mass: 360.1268 Da
logP: -6.22Crippen estimate
Polar surface area: 221.0 Å²
H-bond donors / acceptors: 8 / 11
Rotatable bonds: 4
Stereocentres: R, R, S, R, S, S, R, R, Rin SMILES atom order

Identifiers

CAS number

10039-26-6

SMILES

C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)O)O)O)O.O

InChIKey

WSVLPVUVIUVCRA-RJMJUYIDSA-N

InChI

InChI=1S/C12H22O11.H2O/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;1H2/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+;/m1./s1

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Work with Lactose, monohydrate

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

α-D-Lactose14641-93-191 % similar β-Lactose5965-66-291 % similar α-D-Glucose monohydrate14431-43-773 % similar α-D-Glucose monohydrate5996-10-173 % similar α-D-Glucopyranosyl α-D-glucopyranoside dihydrate6138-23-468 % similar α-Cyclodextrin10016-20-367 % similar γ-Cyclodextrin17465-86-067 % similar β-Cyclodextrin7585-39-967 % similar

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

Same formula

α-Lactose monohydrate5989-81-1 Maltose monohydrate6363-53-7 D-(+)-Lactose monohydrate64044-51-5

Elsewhere

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