TL;DR: 3,5,6-Tri-O-benzyl-1,2-O-isopropylidene-alpha-D-glucofuranose (CAS 53928-30-6) is a chemical compound with molecular formula C30H34O6 and molecular weight 490.23553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aR,5R,6S,6aR)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
Also Known As: Tribenoside EP Impurity A, Tribenoside impurity A CRS, 4623AH, 1,2-O-ISOPROPYLIDENE-3,5,6-TRI-O-BENZYL-ALPHA-D-GLUCOFURANOSE, HY-W357105
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C30H34O6 |
| Molecular Weight | 490.23553 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 490.23553 Da |
| Heavy Atoms | 36 |
| Complexity | 637.0 |
| SMILES | CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C |
| InChIKey | RNPMTPOOMRPILB-XYPQWYOHSA-N |
The XLogP value of 4.5 indicates that 3,5,6-Tri-O-benzyl-1,2-O-isopropylidene-alpha-D-glucofuranose is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 3,5,6-Tri-O-benzyl-1,2-O-isopropylidene-alpha-D-glucofuranose exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,6-Tri-O-benzyl-1,2-O-isopropylidene-alpha-D-glucofuranose has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,5,6-Tri-O-benzyl-1,2-O-isopropylidene-alpha-D-glucofuranose is 53928-30-6.
The molecular formula of 3,5,6-Tri-O-benzyl-1,2-O-isopropylidene-alpha-D-glucofuranose is C30H34O6.
The molecular weight of 3,5,6-Tri-O-benzyl-1,2-O-isopropylidene-alpha-D-glucofuranose is 490.23553 g/mol.
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