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Lactulose
CAS: 4618-18-2 | C12H22O11
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4618-18-2
Molecular Formula:
C12H22O11
Molecular Mass:
342.30 g/mol
Names and Synonyms:
Lactulose
D-Fructose, 4-O-β-D-galactopyranosyl-
Lactulose
Fructose, 4-O-β-D-galactopyranosyl-, D-
4-O-β-D-Galactopyranosyl-D-fructose
D-Lactulose
Bifiteral
Laevolac
Isolactose
Well-me
MLS 50
Farlac
Cephulac
Generlac
Normase
Lactuflor
Duphalac
Laevilac
Milk Oligosaccharide MLP 95
Lazet
Laktusan
MLC 97
Laktulak
Vetalakt
Lael
Lactoflex
Lactofit
Prelax
Osmolak
Kristalose
Solactis galactofructose
Regulact
Milk Oligosaccharide MLS 50
Identifiers:
SMILES:
O=C(CO)[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:
InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h5-15,17-21H,1-3H2/t5-,6-,7-,8+,9+,10-,11-,12+/m1/s1
Key Properties
Melting Point
169 °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 | 342.30 g/mol | CAS Common Chemistry |
| 342.2970000000001 g/mol | RDKit | |
| 342.11621152399994 g/mol | RDKit | |
| Canonical SMILES | O=C(CO)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h5-15,17-21H,1-3H2/t5-,6-,7-,8+,9+,10-,11-,12+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PFCRQPBOOFTZGQ-VZXVHDRGSA-N | CAS Common Chemistry |
| Melting Point | 169 °C | CAS Common Chemistry |
| Name | Lactulose | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 197.36999999999998 Ų | RDKit |
| LogP | -5.552999999999993 | RDKit |
| Molar Refractivity | 69.83240000000004 | RDKit |
