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Molecule
Lactose, Monohydrate
CAS: 64044-51-5 · C12H24O12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 64044-51-5
- Molecular Formula
- C12H24O12
- Molecular Mass
- 360.31 g/mol
Identifiers
CAS Registry Number
64044-51-5
SMILES
O.O=C[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
InChI Key
HBDJFVFTHLOSDW-XBLONOLSSA-N
InChI
InChI=1S/C12H22O11.H2O/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;/h1,4-12,14-21H,2-3H2;1H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-;/m0./s1
Names and Synonyms
- Lactose, Monohydrate Systematic Name
- D-Glucose, 4-O-β-D-galactopyranosyl-, hydrate (1:1) Synonym
- D-Glucose, 4-O-β-D-galactopyranosyl-, monohydrate Synonym
- Lactose, monohydrate Synonym
- Pharmatose 200M Synonym
- Pharmatose 100M Synonym
- Pharmatose 110M Synonym
- Fast-Flo 316 Synonym
- Spherolac 100 Synonym
- Prismalac 40 Synonym
- Pharmatose 80M Synonym
- Pharmatose 80 Synonym
- Pharmatose 450M Synonym
- Pharmatose DCL 14 Synonym
- Pharmatose Synonym
- Microtose Synonym
- Fast-Floc Synonym
- Respitose Synonym
- Pharmatose DCL 22 Synonym
- Foremost 80 Synonym
- D-(+)-Lactose monohydrate Synonym
- SuperTab 14SD Synonym
- Dilactose S Synonym
- Pharmatose M200 Synonym
- LACTOPUR 216 Synonym
- Lactohale LH 200 Synonym
- SuperTab 30 GR Synonym
- Pharmatose R 200M Synonym
- Dilactose F Synonym
- Dilactose F1 Synonym
- Foremost 312 Synonym
- Foremost 316 Synonym
- Excipress Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 360.31 g/mol | CAS Common Chemistry |
| 360.31200000000007 g/mol | RDKit | |
| 360.312 g/mol | RDKit | |
| Density | 0.58 g/cm³ | CAS Common Chemistry |
| 0.58 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO.O | CAS Common Chemistry |
| InChI | InChI=1S/C12H22O11.H2O/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;/h1,4-12,14-21H,2-3H2;1H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HBDJFVFTHLOSDW-XBLONOLSSA-N | CAS Common Chemistry |
| Name | Lactose, monohydrate | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 228.86999999999998 Ų | RDKit |
| 228.87 Ų | RDKit | |
| 206.6 Ų | chempirical lib | |
| LogP | -6.379299999999992 | RDKit |
| -6.3793 | RDKit | |
| Molar Refractivity | 73.42420000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9167 | RDKit |
| 0.92 | chempirical lib | |
| Exact Mass | 360.1267762079999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 360.31 g/mol; density = 0.580 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H24O12.
