chempirical

α-Lactose monohydrate

C12H24O12CAS 5989-81-1360.31 g/mol

Open in Covalent MOL file
H2OHOOOHOOHOHOHOOHOHHO
AcetalAlcoholEther

Properties

Molecular formula
C12H24O12
Molar mass
360.31 g/mol
Exact mass
360.1268 Da
Melting point
201–202 °C
logP
-6.22Crippen estimate
Polar surface area
221.0 Ų
H-bond donors / acceptors
8 / 11
Rotatable bonds
4
Stereocentres
R, S, S, R, R, S, R, R, S, Rin SMILES atom order

Identifiers

CAS number
5989-81-1
SMILES
O.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
WSVLPVUVIUVCRA-KPKNDVKVSA-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

Weigh it out

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

Names and synonyms

24 names · show all
  • α-D-Glucopyranose, 4-O-β-D-galactopyranosyl-, hydrate (1:1)
  • Lactose, monohydrate, α-
  • α-D-Glucopyranose, 4-O-β-D-galactopyranosyl-, monohydrate
  • α-D-Lactose monohydrate
  • 4-O-β-D-Galactopyranosyl-α-D-glucopyranose monohydrate
  • Zeparox
  • Pharmatose DCL 11
  • Pharmatose 50M
  • GranuLac 200
  • Lactose D 80
  • Pharmatose 90M
  • Granulac 230
  • Lactose 100M
  • Pharmatose 150M
  • Aeroflo 95
  • Aeroflo 65
  • Aeroflo 20
  • Inhalac 120
  • Inhalac 230
  • Pharmatose 325
  • Flowlac 200
  • Lactosum D 80
  • Lactochem
  • InhaLac 400

Work with α-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

Lactose, monohydrate10039-26-6 Maltose monohydrate6363-53-7 D-(+)-Lactose monohydrate64044-51-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook