ATPγS
TL;DR: ATPγS (CAS 35094-46-3) 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.
ATPγS
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] dihydroxyphosphinothioyl hydrogen phosphate
Also Known As: ATP,Gamma S, phosphothiophosphoric acid-adenylate ester, Adenosine-5'-O-(1-thiotriphosphate) lithium salt - 100 mM aqueous solution, Adenosine 5'-(trihydrogen diphosphate), p'-anhydride with phosphorothioic acid, [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] dihydroxyphosphinothioyl hydrogen phosphate
| 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 | 35094-46-3 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N |
| InChIKey | NLTUCYMLOPLUHL-UHFFFAOYSA-N |
Product Overview
ATPγS (CAS 35094-46-3), with molecular formula C10H16N5O12P3S and molecular weight 522.97 g/mol. IUPAC: [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] dihydroxyphosphinothioyl hydrogen phosphate.
Chemical Property Profile of ATPγS
Property Insights of ATPγS
The XLogP value of -4.0 indicates that ATPγS is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 294.0 Ų indicates high polarity, suggesting ATPγS may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ATPγS 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 ATPγS?
The CAS number of ATPγS is 35094-46-3.
What is the molecular formula of ATPγS?
The molecular formula of ATPγS is C10H16N5O12P3S.
What is the molecular weight of ATPγS?
The molecular weight of ATPγS is 522.97 g/mol.
Where can I buy ATPγS?
You can request a quote for ATPγS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ATPγS?
Yes, KEHONG BIO provides custom synthesis services for ATPγS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.