6-Thio-5'-xanthylic acid
TL;DR: 6-Thio-5'-xanthylic acid (CAS 3237-53-4) is a chemical compound with molecular formula C10H13N4O8PS and molecular weight 380.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
Also Known As: TXMP, 6-Thioxanthine 5'-monophosphate, 5'-Xanthylic acid, 6-thio-, 6-Thio-5'-xanthylic acid, 6-Thiosine-5'-monophosphate
| Molecular Formula | C10H13N4O8PS |
|---|---|
| Molecular Weight | 380.02 g/mol |
| LogP | -1.48931 |
| Topological Polar Surface Area | 182.92 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.01917 |
| Heavy Atoms | 24 |
| Complexity | 917.4543 |
Chemical Identifiers
| CAS Number | 3237-53-4 |
|---|---|
| SMILES | C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=S |
Product Overview
6-Thio-5'-xanthylic acid (CAS 3237-53-4), with molecular formula C10H13N4O8PS and molecular weight 380.02 g/mol. IUPAC: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 6-Thio-5'-xanthylic acid
Property Insights of 6-Thio-5'-xanthylic acid
The XLogP value of -1.48931 indicates that 6-Thio-5'-xanthylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 182.92 Ų indicates high polarity, suggesting 6-Thio-5'-xanthylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Thio-5'-xanthylic acid has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Thio-5'-xanthylic acid?
The CAS number of 6-Thio-5'-xanthylic acid is 3237-53-4.
What is the molecular formula of 6-Thio-5'-xanthylic acid?
The molecular formula of 6-Thio-5'-xanthylic acid is C10H13N4O8PS.
What is the molecular weight of 6-Thio-5'-xanthylic acid?
The molecular weight of 6-Thio-5'-xanthylic acid is 380.02 g/mol.
Where can I buy 6-Thio-5'-xanthylic acid?
You can request a quote for 6-Thio-5'-xanthylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Thio-5'-xanthylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Thio-5'-xanthylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.