ATP gamma-Anilide
TL;DR: ATP gamma-Anilide (CAS 56953-33-4) is a chemical compound with molecular formula C16H21N6O12P3 and molecular weight 582.04 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)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-phenylphosphonamidic acid
Also Known As: ATP gamma-Anilide, gamma-Anilide ATP, Gan-ATP, gamma-Anilino-ATP, Adenosin-triphosphat-anilid
| Molecular Formula | C16H21N6O12P3 |
|---|---|
| Molecular Weight | 582.04 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 271.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Exact Mass | 582.043 |
| Heavy Atoms | 37 |
| Complexity | 945.0 |
Chemical Identifiers
| CAS Number | 56953-33-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O |
| InChIKey | WGONRKWYOCBBTI-XNIJJKJLSA-N |
Product Overview
ATP gamma-Anilide (CAS 56953-33-4), with molecular formula C16H21N6O12P3 and molecular weight 582.04 g/mol. IUPAC: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-phenylphosphonamidic acid.
Chemical Property Profile of ATP gamma-Anilide
Property Insights of ATP gamma-Anilide
The XLogP value of -2.8 indicates that ATP gamma-Anilide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 271.0 Ų indicates high polarity, suggesting ATP gamma-Anilide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ATP gamma-Anilide 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 ATP gamma-Anilide?
The CAS number of ATP gamma-Anilide is 56953-33-4.
What is the molecular formula of ATP gamma-Anilide?
The molecular formula of ATP gamma-Anilide is C16H21N6O12P3.
What is the molecular weight of ATP gamma-Anilide?
The molecular weight of ATP gamma-Anilide is 582.04 g/mol.
Where can I buy ATP gamma-Anilide?
You can request a quote for ATP gamma-Anilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ATP gamma-Anilide?
Yes, KEHONG BIO provides custom synthesis services for ATP gamma-Anilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.