Back to Search
Molecule
Tribenoside
CAS: 10310-32-4 · C29H34O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10310-32-4
- Molecular Formula
- C29H34O6
- Molecular Mass
- 478.59 g/mol
Identifiers
CAS Registry Number
10310-32-4
SMILES
CCOC1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O
InChI Key
ULLNJSBQMBKOJH-VIVFLBMVSA-N
InChI
InChI=1S/C29H34O6/c1-2-32-29-26(30)28(34-20-24-16-10-5-11-17-24)27(35-29)25(33-19-23-14-8-4-9-15-23)21-31-18-22-12-6-3-7-13-22/h3-17,25-30H,2,18-21H2,1H3/t25-,26-,27-,28-,29?/m1/s1
Names and Synonyms
- Tribenoside Synonym
- D-Glucofuranoside, ethyl 3,5,6-tris-O-(phenylmethyl)- Synonym
- Glucofuranoside, ethyl 3,5,6-tri-O-benzyl-, D- Synonym
- Glucofuranoside, ethyl 3,5,6-tri-O-benzyl- Synonym
- Ethyl 3,5,6-tris-O-(phenylmethyl)-D-glucofuranoside Synonym
- Ethyl 3,5,6-tri-O-benzyl-D-glucofuranoside Synonym
- Ba 21401 Synonym
- Glyvenol Synonym
- Tribenzoside Synonym
- Tribenoside Synonym
- Ethyl 3,5,6-tri-O-benzyl-D-glucofuranoside Synonym
- Glivenol Synonym
- Glyvenal Synonym
- TBGF Synonym
- Flebosan Synonym
- Hemocuron Synonym
- Venex Synonym
- Alven Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 478.59 g/mol | CAS Common Chemistry |
| 478.58500000000015 g/mol | RDKit | |
| 478.585 g/mol | RDKit | |
| Boiling Point | 275 °C | CAS Common Chemistry |
| Canonical SMILES | OC1C(OCC)OC(C(OCC=2C=CC=CC2)COCC=3C=CC=CC3)C1OCC=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C29H34O6/c1-2-32-29-26(30)28(34-20-24-16-10-5-11-17-24)27(35-29)25(33-19-23-14-8-4-9-15-23)21-31-18-22-12-6-3-7-13-22/h3-17,25-30H,2,18-21H2,1H3/t25-,26-,27-,28-,29?/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ULLNJSBQMBKOJH-VIVFLBMVSA-N | CAS Common Chemistry |
| Name | Tribenoside | CAS Common Chemistry |
| Heavy Atom Count | 35 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 66.38000000000001 Ų | RDKit |
| 66.38 Ų | RDKit | |
| LogP | 4.496300000000005 | RDKit |
| 4.4963 | RDKit | |
| Molar Refractivity | 132.42980000000003 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3793 | RDKit |
| 0.38 | chempirical lib | |
| Exact Mass | 478.23553880799994 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
Convert
Quick conversion
MW = 478.59 g/mol. Edit any field — others recompute live.
