1,5,6-Tri-O-benzylmyoinositol
TL;DR: 1,5,6-Tri-O-benzylmyoinositol (CAS 131233-70-0) is a chemical compound with molecular formula C27H30O6 and molecular weight 450.20422 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,3R,4S,6R)-4,5,6-tris(phenylmethoxy)cyclohexane-1,2,3-triol
Also Known As: 1,5,6-Tobmi, 1,5,6-Tri-O-benzylmyoinositol, 1,5,6-Tri-O-benzyl-myo-inositol, 4,5,6-Tris(benzyloxy)cyclohexane-1,2,3-triol, D-myo-Inositol, 1,5,6-tris-O-(phenylmethyl)-
Technical Specifications
| Molecular Formula | C27H30O6 |
| Molecular Weight | 450.20422 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 88.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 450.20422 Da |
| Heavy Atoms | 33 |
| Complexity | 505.0 |
| SMILES | C1=CC=C(C=C1)CO[C@@H]2[C@@H](C([C@H]([C@@H](C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)O)O)O |
| InChIKey | DLTULJLWMBPREM-UZXVYOLYSA-N |
Chemical Property Profile of 1,5,6-Tri-O-benzylmyoinositol
Property Insights of 1,5,6-Tri-O-benzylmyoinositol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5,6-Tri-O-benzylmyoinositol. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5,6-Tri-O-benzylmyoinositol. Following Lipinski's Rule of Five, 1,5,6-Tri-O-benzylmyoinositol has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,5,6-Tri-O-benzylmyoinositol?
The CAS number of 1,5,6-Tri-O-benzylmyoinositol is 131233-70-0.
What is the molecular formula of 1,5,6-Tri-O-benzylmyoinositol?
The molecular formula of 1,5,6-Tri-O-benzylmyoinositol is C27H30O6.
What is the molecular weight of 1,5,6-Tri-O-benzylmyoinositol?
The molecular weight of 1,5,6-Tri-O-benzylmyoinositol is 450.20422 g/mol.
Where can I buy 1,5,6-Tri-O-benzylmyoinositol?
You can request a quote for 1,5,6-Tri-O-benzylmyoinositol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,5,6-Tri-O-benzylmyoinositol?
Yes, CoreyChem provides custom synthesis services for 1,5,6-Tri-O-benzylmyoinositol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.