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Molecule
Α-Lactose Monohydrate
CAS: 5989-81-1 · C12H24O12
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5989-81-1
- Molecular Formula
- C12H24O12
- Molecular Mass
- 360.31 g/mol
Identifiers
CAS Registry 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
InChI Key
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
Names and Synonyms
- Α-Lactose Monohydrate Synonym
- α-D-Glucopyranose, 4-O-β-D-galactopyranosyl-, hydrate (1:1) Synonym
- Lactose, monohydrate, α- Synonym
- α-D-Glucopyranose, 4-O-β-D-galactopyranosyl-, monohydrate Synonym
- α-Lactose monohydrate Synonym
- α-D-Lactose monohydrate Synonym
- 4-O-β-D-Galactopyranosyl-α-D-glucopyranose monohydrate Synonym
- Zeparox Synonym
- Pharmatose DCL 11 Synonym
- Pharmatose 50M Synonym
- GranuLac 200 Synonym
- Lactose D 80 Synonym
- Pharmatose 90M Synonym
- Granulac 230 Synonym
- Lactose 100M Synonym
- Pharmatose 150M Synonym
- Aeroflo 95 Synonym
- Aeroflo 65 Synonym
- Aeroflo 20 Synonym
- Inhalac 120 Synonym
- Inhalac 230 Synonym
- Pharmatose 325 Synonym
- Flowlac 200 Synonym
- Lactosum D 80 Synonym
- Lactochem Synonym
- InhaLac 400 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 360.31 g/mol | CAS Common Chemistry |
| 360.312 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 |
| 221.03 Ų | RDKit | |
| LogP | -6.221899999999992 | RDKit |
| -6.2219 | RDKit | |
| Molar Refractivity | 72.23320000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 360.1267762079999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 360.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H24O12.
