Back to Search
Decyl Β-D-Maltopyranoside
CAS: 82494-09-5 | C22H42O11
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
82494-09-5
Molecular Formula:
C22H42O11
Molecular Mass:
482.57 g/mol
Names and Synonyms:
Decyl Β-D-Maltopyranoside
β-D-Glucopyranoside, decyl 4-O-α-D-glucopyranosyl-
Decyl 4-O-α-D-glucopyranosyl-β-D-glucopyranoside
1-Decyl β-D-maltoside
Decyl β-D-maltopyranoside
n-Decyl β-D-maltoside
Decylmaltoside
Decyl β-D-maltoside
1-O-Decyl-β-D-maltoside
Decyl β-maltopyranoside
Decyl-β-maltoside
n-Decyl-β-D-maltopyranoside
D 382
Identifiers:
SMILES:
CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChI:
InChI=1S/C22H42O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13-29H,2-12H2,1H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1
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 | 482.57 g/mol | CAS Common Chemistry |
| 482.5670000000001 g/mol | RDKit | |
| 482.2727121639998 g/mol | RDKit | |
| Canonical SMILES | OCC1OC(OC2C(O)C(O)C(OCCCCCCCCCC)OC2CO)C(O)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C22H42O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13-29H,2-12H2,1H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WOQQAWHSKSSAGF-WXFJLFHKSA-N | CAS Common Chemistry |
| Name | Decyl β-D-maltopyranoside | CAS Common Chemistry |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| Hydrogen Bond Donors | 7 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 178.53 Ų | RDKit |
| LogP | -1.232199999999998 | RDKit |
| Molar Refractivity | 114.96260000000007 | RDKit |
