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Molecule
Decyl Β-D-Maltopyranoside
CAS: 82494-09-5 · C22H42O11
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 82494-09-5
- Molecular Formula
- C22H42O11
- Molecular Mass
- 482.57 g/mol
Identifiers
CAS Registry Number
82494-09-5
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 Key
WOQQAWHSKSSAGF-WXFJLFHKSA-N
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
Names and Synonyms
- Decyl Β-D-Maltopyranoside Synonym
- β-D-Glucopyranoside, decyl 4-O-α-D-glucopyranosyl- Synonym
- Decyl 4-O-α-D-glucopyranosyl-β-D-glucopyranoside Synonym
- 1-Decyl β-D-maltoside Synonym
- Decyl β-D-maltopyranoside Synonym
- n-Decyl β-D-maltoside Synonym
- Decylmaltoside Synonym
- Decyl β-D-maltoside Synonym
- 1-O-Decyl-β-D-maltoside Synonym
- Decyl β-maltopyranoside Synonym
- Decyl-β-maltoside Synonym
- n-Decyl-β-D-maltopyranoside Synonym
- D 382 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 482.57 g/mol | CAS Common Chemistry |
| 482.5670000000001 g/mol | RDKit | |
| 482.567 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 |
| -1.2322 | RDKit | |
| Molar Refractivity | 114.96260000000007 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 482.2727121639998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 482.57 g/mol. Edit any field — others recompute live.
