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Molecule
Lactitol
CAS: 585-86-4 · C12H24O11
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 585-86-4
- Molecular Formula
- C12H24O11
- Molecular Mass
- 344.31 g/mol
Identifiers
CAS Registry Number
585-86-4
SMILES
OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO
InChI Key
VQHSOMBJVWLPSR-JVCRWLNRSA-N
InChI
InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1
Names and Synonyms
- Lactitol Common Name
- D-Lactitol Synonym
- Lactitol MC Synonym
- LC 1 Synonym
- Pizensy Synonym
- Lacty-Tab Synonym
- D-Glucitol, 4-O-β-D-galactopyranosyl- Synonym
- Lactitol Synonym
- Glucitol, 4-O-β-D-galactopyranosyl-, D- Synonym
- 4-O-β-D-Galactopyranosyl-D-glucitol Synonym
- Lactositol Synonym
- Lactite Synonym
- Lactit Synonym
- Lactit M Synonym
- Miruhen Synonym
- Finlac DC Synonym
- Lacty Synonym
- Lacty (saccharide) Synonym
- Lacty M Synonym
- Lactitol LC 0 Synonym
- Lactiobiosit Synonym
- Lactosit Synonym
- NSC 231323 Synonym
- Importal Synonym
- Lactitol ACM 50 Synonym
- Milchen Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 344.31 g/mol | CAS Common Chemistry |
| 344.3130000000001 g/mol | RDKit | |
| 344.313 g/mol | RDKit | |
| Canonical SMILES | OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VQHSOMBJVWLPSR-JVCRWLNRSA-N | CAS Common Chemistry |
| Melting Point | 146 °C | CAS Common Chemistry |
| Name | Lactitol | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| Hydrogen Bond Donors | 9 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 200.52999999999997 Ų | RDKit |
| 200.53 Ų | RDKit | |
| LogP | -5.761199999999992 | RDKit |
| -5.7612 | RDKit | |
| Molar Refractivity | 70.83220000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 344.13186158799994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 344.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H24O11.
