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Molecule
Nonyl Β-D-Glucopyranoside
CAS: 69984-73-2 · C15H30O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 69984-73-2
- Molecular Formula
- C15H30O6
- Molecular Mass
- 306.40 g/mol
Identifiers
CAS Registry Number
69984-73-2
SMILES
CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI Key
QFAPUKLCALRPLH-UXXRCYHCSA-N
InChI
InChI=1S/C15H30O6/c1-2-3-4-5-6-7-8-9-20-15-14(19)13(18)12(17)11(10-16)21-15/h11-19H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1
Names and Synonyms
- Nonyl Β-D-Glucopyranoside Common Name
- β-D-Glucopyranoside, nonyl Synonym
- Nonyl β-D-glucopyranoside Synonym
- Nonyl β-glucopyranoside Synonym
- n-Nonyl β-D-glucopyranoside Synonym
- Nonyl glucoside Synonym
- Nonyl β-D-glucoside Synonym
- n-Nonyl β-glucoside Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 306.40 g/mol | CAS Common Chemistry |
| 306.399 g/mol | RDKit | |
| Canonical SMILES | OCC1OC(OCCCCCCCCC)C(O)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C15H30O6/c1-2-3-4-5-6-7-8-9-20-15-14(19)13(18)12(17)11(10-16)21-15/h11-19H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QFAPUKLCALRPLH-UXXRCYHCSA-N | CAS Common Chemistry |
| Melting Point | 65-118 °C | CAS Common Chemistry |
| Name | Nonyl β-D-glucopyranoside | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 99.38000000000001 Ų | RDKit |
| 99.38 Ų | RDKit | |
| LogP | 0.5534999999999997 | RDKit |
| 0.5535 | RDKit | |
| Molar Refractivity | 77.71220000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 306.20423868 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 = 306.40 g/mol. Edit any field — others recompute live.
