Inositol 1,4-bisphosphate 5-phosphorothioate
TL;DR: Inositol 1,4-bisphosphate 5-phosphorothioate (CAS 116778-73-5) is a chemical compound with molecular formula C6H15O14P3S and molecular weight 435.93954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2S,3R,4S,5S,6R)-2-dihydroxyphosphinothioyloxy-3,5,6-trihydroxy-4-phosphonooxycyclohexyl] dihydrogen phosphate
Also Known As: Insp3S, Inositol 1,4-bisphosphate 5-phosphorothioate, [(1S,2S,3R,4S,5S,6R)-2-dihydroxyphosphinothioyloxy-3,5,6-trihydroxy-4-phosphonooxycyclohexyl] dihydrogen phosphate, DL-myo-Inositol, 1,4-bis(dihydrogen phosphate) 5-(dihydrogen phosphorothioate), (1S,2R,3S,4S,5R,6S)-2,3,5-Trihydroxy-6-(thiophosphonooxy)cyclohexane-1,4-diyl bis[dihydrogen (phosphate)]
Technical Specifications
| Molecular Formula | C6H15O14P3S |
| Molecular Weight | 435.93954 g/mol |
| XLogP | -5.3 |
| Topological Polar Surface Area (TPSA) | 276.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.93954 Da |
| Heavy Atoms | 24 |
| Complexity | 579.0 |
| SMILES | [C@@H]1([C@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)O)OP(=S)(O)O)OP(=O)(O)O)O)O |
| InChIKey | UKCNLOBKKFKWLA-HOZKJCLWSA-N |
Chemical Property Profile of Inositol 1,4-bisphosphate 5-phosphorothioate
Property Insights of Inositol 1,4-bisphosphate 5-phosphorothioate
The XLogP value of -5.3 indicates that Inositol 1,4-bisphosphate 5-phosphorothioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 276.0 Ų indicates high polarity, suggesting Inositol 1,4-bisphosphate 5-phosphorothioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Inositol 1,4-bisphosphate 5-phosphorothioate has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Inositol 1,4-bisphosphate 5-phosphorothioate?
The CAS number of Inositol 1,4-bisphosphate 5-phosphorothioate is 116778-73-5.
What is the molecular formula of Inositol 1,4-bisphosphate 5-phosphorothioate?
The molecular formula of Inositol 1,4-bisphosphate 5-phosphorothioate is C6H15O14P3S.
What is the molecular weight of Inositol 1,4-bisphosphate 5-phosphorothioate?
The molecular weight of Inositol 1,4-bisphosphate 5-phosphorothioate is 435.93954 g/mol.
Where can I buy Inositol 1,4-bisphosphate 5-phosphorothioate?
You can request a quote for Inositol 1,4-bisphosphate 5-phosphorothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Inositol 1,4-bisphosphate 5-phosphorothioate?
Yes, CoreyChem provides custom synthesis services for Inositol 1,4-bisphosphate 5-phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.