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Molecule
Lactulose
CAS: 4618-18-2 · C12H22O11
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4618-18-2
- Molecular Formula
- C12H22O11
- Molecular Mass
- 342.30 g/mol
Identifiers
CAS Registry Number
4618-18-2
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 Key
PFCRQPBOOFTZGQ-VZXVHDRGSA-N
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
Names and Synonyms
- Lactulose Common Name
- D-Fructose, 4-O-β-D-galactopyranosyl- Synonym
- Lactulose Synonym
- Fructose, 4-O-β-D-galactopyranosyl-, D- Synonym
- 4-O-β-D-Galactopyranosyl-D-fructose Synonym
- D-Lactulose Synonym
- Bifiteral Synonym
- Laevolac Synonym
- Isolactose Synonym
- Well-me Synonym
- MLS 50 Synonym
- Farlac Synonym
- Cephulac Synonym
- Generlac Synonym
- Normase Synonym
- Lactuflor Synonym
- Duphalac Synonym
- Laevilac Synonym
- Milk Oligosaccharide MLP 95 Synonym
- Lazet Synonym
- Laktusan Synonym
- MLC 97 Synonym
- Laktulak Synonym
- Vetalakt Synonym
- Lael Synonym
- Lactoflex Synonym
- Lactofit Synonym
- Prelax Synonym
- Osmolak Synonym
- Kristalose Synonym
- Solactis galactofructose Synonym
- Regulact Synonym
- Milk Oligosaccharide MLS 50 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 342.30 g/mol | CAS Common Chemistry |
| 342.2970000000001 g/mol | RDKit | |
| 342.297 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 |
| 197.37 Ų | RDKit | |
| LogP | -5.552999999999993 | RDKit |
| -5.553 | RDKit | |
| Molar Refractivity | 69.83240000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9167 | RDKit |
| 0.92 | chempirical lib | |
| Exact Mass | 342.11621152399994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 342.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H22O11.
