ATP-1-aminonaphthalene-5-sulfonate
TL;DR: ATP-1-aminonaphthalene-5-sulfonate (CAS 66492-86-2) is a chemical compound with molecular formula C20H23N6O15P3S and molecular weight 712.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]naphthalene-1-sulfonic acid
Also Known As: ATP-Ans, ATP-1-Aminonaphthalene-5-sulfonate, Adenosine triphosphate-1-aminonaphthalene-5-sulfonate, 5'-o-(hydroxy{[hydroxy({hydroxy[(5-sulfonaphthalen-1-yl)amino]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)adenosine, 5-[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]naphthalene-1-sulfonic acid
| Molecular Formula | C20H23N6O15P3S |
|---|---|
| Molecular Weight | 712.02 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 334.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 11 |
| Exact Mass | 712.0155 |
| Heavy Atoms | 45 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 66492-86-2 |
|---|---|
| SMILES | C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NP(=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 | IVVJOUNYPZPCPK-AEVYOOLXSA-N |
Product Overview
ATP-1-aminonaphthalene-5-sulfonate (CAS 66492-86-2), with molecular formula C20H23N6O15P3S and molecular weight 712.02 g/mol. IUPAC: 5-[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]naphthalene-1-sulfonic acid.
Chemical Property Profile of ATP-1-aminonaphthalene-5-sulfonate
Property Insights of ATP-1-aminonaphthalene-5-sulfonate
The XLogP value of -2.8 indicates that ATP-1-aminonaphthalene-5-sulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 334.0 Ų indicates high polarity, suggesting ATP-1-aminonaphthalene-5-sulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ATP-1-aminonaphthalene-5-sulfonate has 8 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ATP-1-aminonaphthalene-5-sulfonate?
The CAS number of ATP-1-aminonaphthalene-5-sulfonate is 66492-86-2.
What is the molecular formula of ATP-1-aminonaphthalene-5-sulfonate?
The molecular formula of ATP-1-aminonaphthalene-5-sulfonate is C20H23N6O15P3S.
What is the molecular weight of ATP-1-aminonaphthalene-5-sulfonate?
The molecular weight of ATP-1-aminonaphthalene-5-sulfonate is 712.02 g/mol.
Where can I buy ATP-1-aminonaphthalene-5-sulfonate?
You can request a quote for ATP-1-aminonaphthalene-5-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ATP-1-aminonaphthalene-5-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for ATP-1-aminonaphthalene-5-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.