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Α-Lactose Monohydrate
CAS: 5989-81-1 | C12H24O12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5989-81-1
Molecular Formula:
C12H24O12
Molecular Mass:
360.31 g/mol
Names and Synonyms:
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-Lactose 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
Identifiers:
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
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
Key Properties
Melting Point
201-202 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 360.31 g/mol | CAS Common Chemistry |
| 360.312 g/mol | RDKit | |
| 360.1267762079999 g/mol | RDKit | |
| Canonical SMILES | O.OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=WSVLPVUVIUVCRA-KPKNDVKVSA-N | CAS Common Chemistry |
| Melting Point | 201-202 °C | CAS Common Chemistry |
| Name | α-Lactose monohydrate | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 221.02999999999997 Ų | RDKit |
| LogP | -6.221899999999992 | RDKit |
| Molar Refractivity | 72.23320000000004 | RDKit |
