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Molecule
2,3,5-Tris-O-(Phenylmethyl)-D-Ribose
CAS: 54623-25-5 · C26H28O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 54623-25-5
- Molecular Formula
- C26H28O5
- Molecular Mass
- 420.51 g/mol
Identifiers
CAS Registry Number
54623-25-5
SMILES
O=C[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChI Key
XUCNSIRQCBFBHF-UODIDJSMSA-N
InChI
InChI=1S/C26H28O5/c27-16-25(30-18-22-12-6-2-7-13-22)26(31-19-23-14-8-3-9-15-23)24(28)20-29-17-21-10-4-1-5-11-21/h1-16,24-26,28H,17-20H2/t24-,25+,26-/m1/s1
Names and Synonyms
- 2,3,5-Tris-O-(Phenylmethyl)-D-Ribose Systematic Name
- D-Ribose, 2,3,5-tris-O-(phenylmethyl)- Synonym
- 2,3,5-Tris-O-(phenylmethyl)-D-ribose Synonym
- 2,3,5-Tri-O-benzyl-D-ribose Synonym
- 2,3,5-Tri-O-benzyl-D-ribofuranose Synonym
- (3-R,4-R,5R)-3,4-Bis(benzyloxy)-5-[(benzyloxy)methyl]tetrahydrofuran-2-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 420.51 g/mol | CAS Common Chemistry |
| 420.50500000000017 g/mol | RDKit | |
| 420.505 g/mol | RDKit | |
| Canonical SMILES | O=CC(OCC=1C=CC=CC1)C(OCC=2C=CC=CC2)C(O)COCC=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C26H28O5/c27-16-25(30-18-22-12-6-2-7-13-22)26(31-19-23-14-8-3-9-15-23)24(28)20-29-17-21-10-4-1-5-11-21/h1-16,24-26,28H,17-20H2/t24-,25+,26-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XUCNSIRQCBFBHF-UODIDJSMSA-N | CAS Common Chemistry |
| Name | 2,3,5-Tris-O-(phenylmethyl)-D-ribose | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 64.99000000000001 Ų | RDKit |
| 64.99 Ų | RDKit | |
| LogP | 3.9338000000000033 | RDKit |
| 3.9338 | RDKit | |
| Molar Refractivity | 118.20680000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2692 | RDKit |
| 0.27 | chempirical lib | |
| Exact Mass | 420.1936739959999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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 = 420.51 g/mol. Edit any field — others recompute live.
