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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
Names and Synonyms:
Lactitol
D-Lactitol
Lactitol MC
LC 1
Pizensy
Lacty-Tab
D-Glucitol, 4-O-β-D-galactopyranosyl-
Lactitol
Glucitol, 4-O-β-D-galactopyranosyl-, D-
4-O-β-D-Galactopyranosyl-D-glucitol
Lactositol
Lactite
Lactit
Lactit M
Miruhen
Finlac DC
Lacty
Lacty (saccharide)
Lacty M
Lactitol LC 0
Lactiobiosit
Lactosit
NSC 231323
Importal
Lactitol ACM 50
Milchen
Identifiers:
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:
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
Key Properties
Melting Point
146 °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 | 344.31 g/mol | CAS Common Chemistry |
| 344.3130000000001 g/mol | RDKit | |
| 344.13186158799994 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 |
| LogP | -5.761199999999992 | RDKit |
| Molar Refractivity | 70.83220000000004 | RDKit |
