Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate
TL;DR: Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate (CAS 102415-55-4) is a chemical compound with molecular formula C22H28N7O15P3S and molecular weight 755.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]ethylamino]naphthalene-1-sulfonic acid
Also Known As: gamma-1,5-Edans-ATP, Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate, 5-[2-[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]ethylamino]naphthalene-1-sulfonic acid, adenosine-5/'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate, 5'-O-{hydroxy[(hydroxy{[hydroxy({2-[(5-sulfonaphthalen-1-yl)amino]ethyl}amino)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}adenosine
| Molecular Formula | C22H28N7O15P3S |
|---|---|
| Molecular Weight | 755.06 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 346.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 14 |
| Exact Mass | 755.0577 |
| Heavy Atoms | 48 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 102415-55-4 |
|---|---|
| SMILES | C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O |
| InChIKey | KRFAVSHDVRABPO-CIVUBGFFSA-N |
Product Overview
Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate (CAS 102415-55-4), with molecular formula C22H28N7O15P3S and molecular weight 755.06 g/mol. IUPAC: 5-[2-[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]ethylamino]naphthalene-1-sulfonic acid.
Chemical Property Profile of Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate
Property Insights of Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate
The XLogP value of -3.8 indicates that Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 346.0 Ų indicates high polarity, suggesting Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate has 9 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate?
The CAS number of Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate is 102415-55-4.
What is the molecular formula of Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate?
The molecular formula of Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate is C22H28N7O15P3S.
What is the molecular weight of Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate?
The molecular weight of Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate is 755.06 g/mol.
Where can I buy Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate?
You can request a quote for Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate?
Yes, KEHONG BIO provides custom synthesis services for Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.