naphthoyl-ATP
TL;DR: naphthoyl-ATP (CAS 76152-01-7) is a chemical compound with molecular formula C21H22N5O14P3 and molecular weight 661.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate
Also Known As: Naphthoyl-ATP, 3-NP-ATP, 3'-O-Naphthoyladenosine 5'-triphosphate, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate, Adenosine 5'-(tetrahydrogen triphosphate), 3'-(1-naphthalenecarboxylate)
| Molecular Formula | C21H22N5O14P3 |
|---|---|
| Molecular Weight | 661.04 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 285.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 661.0376 |
| Heavy Atoms | 43 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 76152-01-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O |
| InChIKey | SDHBQQJZCDASLQ-WVSUBDOOSA-N |
Product Overview
naphthoyl-ATP (CAS 76152-01-7), with molecular formula C21H22N5O14P3 and molecular weight 661.04 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate.
Chemical Property Profile of naphthoyl-ATP
Property Insights of naphthoyl-ATP
The XLogP value of -2.2 indicates that naphthoyl-ATP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 285.0 Ų indicates high polarity, suggesting naphthoyl-ATP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, naphthoyl-ATP has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of naphthoyl-ATP?
The CAS number of naphthoyl-ATP is 76152-01-7.
What is the molecular formula of naphthoyl-ATP?
The molecular formula of naphthoyl-ATP is C21H22N5O14P3.
What is the molecular weight of naphthoyl-ATP?
The molecular weight of naphthoyl-ATP is 661.04 g/mol.
Where can I buy naphthoyl-ATP?
You can request a quote for naphthoyl-ATP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for naphthoyl-ATP?
Yes, KEHONG BIO provides custom synthesis services for naphthoyl-ATP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.