Ant-ATP
TL;DR: Ant-ATP (CAS 85287-49-6) is a chemical compound with molecular formula C17H21N6O14P3 and molecular weight 626.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-aminobenzoate
Also Known As: Ant-ATP, 3'-O-Anthraniloyl ATP, 3'-o-(2-aminobenzoyl)adenosine 5'-(tetrahydrogen triphosphate), [(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-aminobenzoate
| Molecular Formula | C17H21N6O14P3 |
|---|---|
| Molecular Weight | 626.03 g/mol |
| LogP | -3.6 |
| Topological Polar Surface Area | 311.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 626.03284 |
| Heavy Atoms | 40 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 85287-49-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O[C@@H]2[C@H](O[C@@H]([C@@H]2O)N3C=NC4=C(N=CN=C43)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N |
| InChIKey | ZJPHORHRONZRCV-VSBTWAGUSA-N |
Product Overview
Ant-ATP (CAS 85287-49-6), with molecular formula C17H21N6O14P3 and molecular weight 626.03 g/mol. IUPAC: [(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-aminobenzoate.
Chemical Property Profile of Ant-ATP
Property Insights of Ant-ATP
The XLogP value of -3.6 indicates that Ant-ATP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 311.0 Ų indicates high polarity, suggesting Ant-ATP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ant-ATP has 7 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ant-ATP?
The CAS number of Ant-ATP is 85287-49-6.
What is the molecular formula of Ant-ATP?
The molecular formula of Ant-ATP is C17H21N6O14P3.
What is the molecular weight of Ant-ATP?
The molecular weight of Ant-ATP is 626.03 g/mol.
Where can I buy Ant-ATP?
You can request a quote for Ant-ATP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ant-ATP?
Yes, KEHONG BIO provides custom synthesis services for Ant-ATP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.