Riboflavin 5'-phosphorothioate
TL;DR: Riboflavin 5'-phosphorothioate (CAS 109637-87-8) is a chemical compound with molecular formula C17H21N4O8PS and molecular weight 472.08176 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-[(2R,3R,4S)-5-dihydroxyphosphinothioyloxy-2,3,4-trihydroxypentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
Also Known As: 5'-Fmns, Riboflavin 5'-phosphorothioate, riboflavin 5/'-phosphorothioate, 10-[(2R,3R,4S)-5-dihydroxyphosphinothioyloxy-2,3,4-trihydroxypentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione, 1-(2,4,5-trichlorophenoxy)propan-2-yl 2-(2,4,5-trichlorophenoxy)acetate
Technical Specifications
| Molecular Formula | C17H21N4O8PS |
| Molecular Weight | 472.08176 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 217.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.08176 Da |
| Heavy Atoms | 31 |
| Complexity | 848.0 |
| SMILES | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](COP(=S)(O)O)O)O)O |
| InChIKey | BVDKANIIUDRDSK-MBNYWOFBSA-N |
Chemical Property Profile of Riboflavin 5'-phosphorothioate
Property Insights of Riboflavin 5'-phosphorothioate
The XLogP value of -0.8 indicates that Riboflavin 5'-phosphorothioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 217.0 Ų indicates high polarity, suggesting Riboflavin 5'-phosphorothioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Riboflavin 5'-phosphorothioate has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Riboflavin 5'-phosphorothioate?
The CAS number of Riboflavin 5'-phosphorothioate is 109637-87-8.
What is the molecular formula of Riboflavin 5'-phosphorothioate?
The molecular formula of Riboflavin 5'-phosphorothioate is C17H21N4O8PS.
What is the molecular weight of Riboflavin 5'-phosphorothioate?
The molecular weight of Riboflavin 5'-phosphorothioate is 472.08176 g/mol.
Where can I buy Riboflavin 5'-phosphorothioate?
You can request a quote for Riboflavin 5'-phosphorothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Riboflavin 5'-phosphorothioate?
Yes, CoreyChem provides custom synthesis services for Riboflavin 5'-phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.