chempirical

Alpha-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

Hazards

Not classified as hazardous under GHS by 63 ECHA notifiers. Aggregated from 63 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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

25 names · show all
  • α-Lactose monohydrate
  • 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 Alpha-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

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.

β-Lactose5965-66-2Anhydrous, diastereomer Amylodextrin9005-84-9Anhydrous, diastereomer α-D-Lactose14641-93-1Anhydrous Lactose, monohydrate10039-26-6Stereoisomer

Similar compounds

Dextrin9004-53-991 % similar Cellulase9012-54-891 % similar β-D-Glucan9041-22-991 % similar Glycogen9005-79-277 % similar Beta-cyclodextrin hydrate68168-23-076 % similar α-D-Glucose monohydrate14431-43-773 % similar α-D-Glucose monohydrate5996-10-173 % similar Laminarin9008-22-470 % similar

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

Same formula

Maltose monohydrate6363-53-7 D-(+)-Lactose monohydrate64044-51-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook