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Molecule
2,3,4,6-Tetrakis-O-(Phenylmethyl)-D-Galactose
CAS: 53081-25-7 · C34H36O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 53081-25-7
- Molecular Formula
- C34H36O6
- Molecular Mass
- 540.66 g/mol
Identifiers
CAS Registry Number
53081-25-7
SMILES
O=C[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChI Key
OUHUDRYCYOSXDI-ALMGMPQLSA-N
InChI
InChI=1S/C34H36O6/c35-21-32(38-23-28-15-7-2-8-16-28)34(40-25-30-19-11-4-12-20-30)33(39-24-29-17-9-3-10-18-29)31(36)26-37-22-27-13-5-1-6-14-27/h1-21,31-34,36H,22-26H2/t31-,32+,33+,34-/m1/s1
Names and Synonyms
- 2,3,4,6-Tetrakis-O-(Phenylmethyl)-D-Galactose Synonym
- D-Galactose, 2,3,4,6-tetrakis-O-(phenylmethyl)- Synonym
- 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactose Synonym
- 2,3,4,6-Tetra-O-benzyl-D-galactose Synonym
- 2,3,4,6-Tetra-O-benzyl-D-galactopyranose Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 540.66 g/mol | CAS Common Chemistry |
| 540.6560000000003 g/mol | RDKit | |
| 540.656 g/mol | RDKit | |
| Canonical SMILES | O=CC(OCC=1C=CC=CC1)C(OCC=2C=CC=CC2)C(OCC=3C=CC=CC3)C(O)COCC=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C34H36O6/c35-21-32(38-23-28-15-7-2-8-16-28)34(40-25-30-19-11-4-12-20-30)33(39-24-29-17-9-3-10-18-29)31(36)26-37-22-27-13-5-1-6-14-27/h1-21,31-34,36H,22-26H2/t31-,32+,33+,34-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OUHUDRYCYOSXDI-ALMGMPQLSA-N | CAS Common Chemistry |
| Name | 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactose | CAS Common Chemistry |
| Heavy Atom Count | 40 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 74.22000000000001 Ų | RDKit |
| 74.22 Ų | RDKit | |
| LogP | 5.519200000000006 | RDKit |
| 5.5192 | RDKit | |
| Molar Refractivity | 153.22579999999974 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2647 | RDKit |
| 0.26 | chempirical lib | |
| Exact Mass | 540.251188872 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 540.66 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C34H36O6.
