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Hexyl Β-D-Glucopyranoside
CAS: 59080-45-4 | C12H24O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
59080-45-4
Molecular Formula:
C12H24O6
Molecular Mass:
264.32 g/mol
Names and Synonyms:
Hexyl Β-D-Glucopyranoside
β-D-Glucopyranoside, hexyl
Hexyl β-D-glucopyranoside
Hexyl glucoside
n-Hexyl-β-D-glucoside
n-Hexyl β-D-glucopyranoside
1-Hexyl β-D-glucoside
APG 06
Sucraph AG 6206
Triton CG 6
Identifiers:
SMILES:
CCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI:
InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1
Key Properties
Melting Point
88-91 °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 | 264.32 g/mol | CAS Common Chemistry |
| 264.318 g/mol | RDKit | |
| 264.157288488 g/mol | RDKit | |
| Canonical SMILES | OCC1OC(OCCCCCC)C(O)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=JVAZJLFFSJARQM-RMPHRYRLSA-N | CAS Common Chemistry |
| Melting Point | 88-91 °C | CAS Common Chemistry |
| Name | Hexyl β-D-glucopyranoside | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 99.38000000000001 Ų | RDKit |
| LogP | -0.6168000000000002 | RDKit |
| Molar Refractivity | 63.86120000000006 | RDKit |
