腺苷5'-O-(2-硫代三磷酸酯)
TL;DR: 腺苷5'-O-(2-硫代三磷酸酯) (CAS 62230-10-8) is a chemical compound with molecular formula C10H16N5O12P3S and molecular weight 522.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
腺苷5'-O-(2-硫代三磷酸酯)
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphinothioyl] hydrogen phosphate
Also Known As: ATP beta S, ATP beta-S, ATP-beta-S, adenosine 5'-O-(2-thiotriphosphate), Adenosine 5'-(2-thio)triphosphate
| Molecular Formula | C10H16N5O12P3S |
|---|---|
| Molecular Weight | 522.97 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 294.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 522.9729 |
| Heavy Atoms | 31 |
| Complexity | 805.0 |
Chemical Identifiers
| CAS Number | 62230-10-8 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=S)(O)OP(=O)(O)O)O)O)N |
| InChIKey | XGAOYVYIONYFMI-VWJVIAGJSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
腺苷5'-O-(2-硫代三磷酸酯) (CAS 62230-10-8), with molecular formula C10H16N5O12P3S and molecular weight 522.97 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphinothioyl] hydrogen phosphate.
Chemical Property Profile of 腺苷5'-O-(2-硫代三磷酸酯)
Property Insights of 腺苷5'-O-(2-硫代三磷酸酯)
The XLogP value of -4.0 indicates that 腺苷5'-O-(2-硫代三磷酸酯) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 294.0 Ų indicates high polarity, suggesting 腺苷5'-O-(2-硫代三磷酸酯) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 腺苷5'-O-(2-硫代三磷酸酯) has 7 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 腺苷5'-O-(2-硫代三磷酸酯)?
The CAS number of 腺苷5'-O-(2-硫代三磷酸酯) is 62230-10-8.
What is the molecular formula of 腺苷5'-O-(2-硫代三磷酸酯)?
The molecular formula of 腺苷5'-O-(2-硫代三磷酸酯) is C10H16N5O12P3S.
What is the molecular weight of 腺苷5'-O-(2-硫代三磷酸酯)?
The molecular weight of 腺苷5'-O-(2-硫代三磷酸酯) is 522.97 g/mol.
Where can I buy 腺苷5'-O-(2-硫代三磷酸酯)?
You can request a quote for 腺苷5'-O-(2-硫代三磷酸酯) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 腺苷5'-O-(2-硫代三磷酸酯)?
Yes, KEHONG BIO provides custom synthesis services for 腺苷5'-O-(2-硫代三磷酸酯) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.