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Molecule
Α-D-Lactose
CAS: 14641-93-1 · C12H22O11
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14641-93-1
- Molecular Formula
- C12H22O11
- Molecular Mass
- 342.30 g/mol
Identifiers
CAS Registry Number
14641-93-1
SMILES
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
InChI Key
GUBGYTABKSRVRQ-XLOQQCSPSA-N
InChI
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1
Names and Synonyms
- Α-D-Lactose Common Name
- α-D-Glucopyranose, 4-O-β-D-galactopyranosyl- Synonym
- Lactose, α- Synonym
- 4-O-β-D-Galactopyranosyl-α-D-glucopyranose Synonym
- α-Lactose Synonym
- α-D-Lactose Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 342.30 g/mol | CAS Common Chemistry |
| 342.297 g/mol | RDKit | |
| Canonical SMILES | OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=GUBGYTABKSRVRQ-XLOQQCSPSA-N | CAS Common Chemistry |
| Melting Point | 238 °C | CAS Common Chemistry |
| Name | α-D-Lactose | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 189.52999999999997 Ų | RDKit |
| 189.53 Ų | RDKit | |
| LogP | -5.397199999999993 | RDKit |
| -5.3972 | RDKit | |
| Molar Refractivity | 68.61940000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 342.11621152399994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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.
