Caged 5-thio-insp3
TL;DR: Caged 5-thio-insp3 (CAS 165036-14-6) is a chemical compound with molecular formula C14H22NO16P3S and molecular weight 584.98724 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R)-1-(2-nitrophenyl)ethyl]sulfanyl-[(1S,2R,3S,4S,5R,6S)-2,4,5-trihydroxy-3,6-diphosphonooxycyclohexyl]oxyphosphinic acid
Also Known As: Caged 5-thio-insp3, [(1R)-1-(2-nitrophenyl)ethyl]sulfanyl-[(1S,2R,3S,4S,5R,6S)-2,4,5-trihydroxy-3,6-diphosphonooxycyclohexyl]oxyphosphinic acid, 2-(S-(1-(2-Nitrophenyl)ethyl)thiophosphoryloxy)inositol 1,4-bis(dihydrogen phosphate), D-myo-Inositol, 1,4-bis(dihydrogen phosphate) 5-(S-(1-(2-nitrophenyl)ethyl) hydrogen phosphorothioate), (R)-, (1S,2R,3S,4S,5R,6S)-2,3,5-Trihydroxy-6-[(hydroxy{[(1R)-1-(2-nitrophenyl)ethyl]sulfanyl}phosphoryl)oxy]cyclohexane-1,4-diyl bis[dihydrogen (phosphate)]
Technical Specifications
| Molecular Formula | C14H22NO16P3S |
| Molecular Weight | 584.98724 g/mol |
| XLogP | -4.3 |
| Topological Polar Surface Area (TPSA) | 312.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Exact Mass | 584.98724 Da |
| Heavy Atoms | 35 |
| Complexity | 891.0 |
| SMILES | C[C@H](C1=CC=CC=C1[N+](=O)[O-])SP(=O)(O)O[C@H]2[C@@H]([C@H]([C@H]([C@H]([C@@H]2OP(=O)(O)O)O)O)OP(=O)(O)O)O |
| InChIKey | GPGJXNYNJPMDTP-MOWZACQSSA-N |
Chemical Property Profile of Caged 5-thio-insp3
Property Insights of Caged 5-thio-insp3
The XLogP value of -4.3 indicates that Caged 5-thio-insp3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 312.0 Ų indicates high polarity, suggesting Caged 5-thio-insp3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Caged 5-thio-insp3 has 8 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Caged 5-thio-insp3?
The CAS number of Caged 5-thio-insp3 is 165036-14-6.
What is the molecular formula of Caged 5-thio-insp3?
The molecular formula of Caged 5-thio-insp3 is C14H22NO16P3S.
What is the molecular weight of Caged 5-thio-insp3?
The molecular weight of Caged 5-thio-insp3 is 584.98724 g/mol.
Where can I buy Caged 5-thio-insp3?
You can request a quote for Caged 5-thio-insp3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Caged 5-thio-insp3?
Yes, CoreyChem provides custom synthesis services for Caged 5-thio-insp3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.