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Phenylmethyl Β-L-Arabinopyranoside
CAS: 7473-38-3 | C12H16O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7473-38-3
Molecular Formula:
C12H16O5
Molecular Mass:
240.26 g/mol
Names and Synonyms:
Phenylmethyl Β-L-Arabinopyranoside
β-L-Arabinopyranoside, phenylmethyl
Arabinopyranoside, benzyl, β-L-
Phenylmethyl β-L-arabinopyranoside
Benzyl β-L-arabinopyranoside
NSC 400277
Identifiers:
SMILES:
O[C@@H]1[C@@H](O)[C@@H](OCc2ccccc2)OC[C@@H]1O
InChI:
InChI=1S/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11+,12-/m0/s1
Key Properties
Melting Point
172-173 °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 | 240.26 g/mol | CAS Common Chemistry |
| 240.255 g/mol | RDKit | |
| 240.099773612 g/mol | RDKit | |
| Canonical SMILES | OC1COC(OCC=2C=CC=CC2)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11+,12-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XUGMDBJXWCFLRQ-YFKTTZPYSA-N | CAS Common Chemistry |
| Melting Point | 172-173 °C | CAS Common Chemistry |
| Name | Phenylmethyl β-L-arabinopyranoside | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 79.15 Ų | RDKit |
| LogP | -0.3578000000000003 | RDKit |
| Molar Refractivity | 58.99140000000004 | RDKit |
