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2,3,4,6-Tetrakis-O-(Phenylmethyl)-Α-D-Glucopyranose
CAS: 6564-72-3 | C34H36O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6564-72-3
Molecular Formula:
C34H36O6
Molecular Mass:
540.66 g/mol
Names and Synonyms:
2,3,4,6-Tetrakis-O-(Phenylmethyl)-Α-D-Glucopyranose
α-D-Glucopyranose, 2,3,4,6-tetrakis-O-(phenylmethyl)-
Glucopyranose, 2,3,4,6-tetra-O-benzyl-, α-D-
2,3,4,6-Tetrakis-O-(phenylmethyl)-α-D-glucopyranose
2,3,4,6-Tetra-O-benzyl-α-D-glucopyranose
2, 3, 4, 6-Tetra-O-Benzyl-α-D-glucopyranose
2,3,4,6-Tetra-O-benzyl-α-D-glucose
Identifiers:
SMILES:
O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChI:
InChI=1S/C34H36O6/c35-34-33(39-24-29-19-11-4-12-20-29)32(38-23-28-17-9-3-10-18-28)31(37-22-27-15-7-2-8-16-27)30(40-34)25-36-21-26-13-5-1-6-14-26/h1-20,30-35H,21-25H2/t30-,31-,32+,33-,34+/m1/s1
Key Properties
Melting Point
148 °C @ Solvent: Acetic acid, Cyclohexane, Methanol
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 | 540.66 g/mol | CAS Common Chemistry |
| 540.6560000000003 g/mol | RDKit | |
| 540.251188872 g/mol | RDKit | |
| Canonical SMILES | OC1OC(COCC=2C=CC=CC2)C(OCC=3C=CC=CC3)C(OCC=4C=CC=CC4)C1OCC=5C=CC=CC5 | CAS Common Chemistry |
| InChI | InChI=1S/C34H36O6/c35-34-33(39-24-29-19-11-4-12-20-29)32(38-23-28-17-9-3-10-18-28)31(37-22-27-15-7-2-8-16-27)30(40-34)25-36-21-26-13-5-1-6-14-26/h1-20,30-35H,21-25H2/t30-,31-,32+,33-,34+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OGOMAWHSXRDAKZ-RUOAZZEASA-N | CAS Common Chemistry |
| Melting Point | 148 °C @ Solvent: Acetic acid, Cyclohexane, Methanol | CAS Common Chemistry |
| Name | 2,3,4,6-Tetrakis-O-(phenylmethyl)-α-D-glucopyranose | CAS Common Chemistry |
| Heavy Atom Count | 40 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 66.38000000000001 Ų | RDKit |
| LogP | 5.676600000000006 | RDKit |
| Molar Refractivity | 152.0347999999997 | RDKit |
