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Lauryl Glucoside
CAS: 59122-55-3 | C18H36O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
59122-55-3
Molecular Formula:
C18H36O6
Molecular Mass:
348.48 g/mol
Names and Synonyms:
Lauryl Glucoside
n-Dodecyl β-D-glucopyranoside
β-D-Glucopyranoside, dodecyl
Glucoside, dodecyl
Dodecyl β-D-glucopyranoside
Dodecyl β-D-glucoside
AG 12 (carbohydrate)
AG 12
BDDG
Identifiers:
SMILES:
CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI:
InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17-,18-/m1/s1
Key Properties
Melting Point
77-137 °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 | 348.48 g/mol | CAS Common Chemistry |
| 348.47999999999996 g/mol | RDKit | |
| 348.25118887199994 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lauryl_glucoside | CAS Common Chemistry |
| Canonical SMILES | OCC1OC(OCCCCCCCCCCCC)C(O)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17-,18-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PYIDGJJWBIBVIA-UYTYNIKBSA-N | CAS Common Chemistry |
| Melting Point | 77-137 °C | CAS Common Chemistry |
| Name | Dodecyl β-D-glucopyranoside | CAS Common Chemistry |
| Lauryl glucoside | CAS Common Chemistry | |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 99.38000000000001 Ų | RDKit |
| LogP | 1.7237999999999996 | RDKit |
| Molar Refractivity | 91.56320000000005 | RDKit |
