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Molecule
Tyrosol α-(β-D-glucopyranoside)
CAS: 10338-51-9 · C14H20O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10338-51-9
- Molecular Formula
- C14H20O7
- Molecular Mass
- 300.31 g/mol
Identifiers
CAS Registry Number
10338-51-9
SMILES
OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
InChI Key
ILRCGYURZSFMEG-RKQHYHRCSA-N
InChI
InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1
Names and Synonyms
- Tyrosol α-(β-D-glucopyranoside) Synonym
- Salidroside Synonym
- β-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl Synonym
- Salidroside Synonym
- Glucopyranoside, p-hydroxyphenethyl Synonym
- 2-(4-Hydroxyphenyl)ethyl β-D-glucopyranoside Synonym
- Rhodioloside Synonym
- Rhodosin Synonym
- 4-Hydroxyphenyl-2-ethyl-β-D-glucopyranoside Synonym
- Sallidroside Synonym
- (2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy] oxane-3,4,5-triol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 300.31 g/mol | CAS Common Chemistry |
| 300.307 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Salidroside | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(C=C1)CCOC2OC(CO)C(O)C(O)C2O | CAS Common Chemistry |
| InChI | InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ILRCGYURZSFMEG-RKQHYHRCSA-N | CAS Common Chemistry |
| Melting Point | 159-160 °C | CAS Common Chemistry |
| Name | Salidroside | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 119.61000000000001 Ų | RDKit |
| 119.61 Ų | RDKit | |
| LogP | -1.2488000000000008 | RDKit |
| -1.2488 | RDKit | |
| Molar Refractivity | 71.53000000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 300.12090298 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 300.31 g/mol. Edit any field — others recompute live.
