Aza-epsilon-ATP
TL;DR: Aza-epsilon-ATP (CAS 90-91-5) is a chemical compound with molecular formula C11H15N6O13P3 and molecular weight 531.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(3,5,7,8,9,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: Aza-epsilon-ATP, Aza-ATP, 2-Aza-1,N6-etheno ATP, 2-Aza-1,N6-etheno-adenosine triphosphate, 1,N(6)-Etheno-2-aza-adenosine triphosphate
| Molecular Formula | C11H15N6O13P3 |
|---|---|
| Molecular Weight | 531.99 g/mol |
| LogP | -5.8 |
| Topological Polar Surface Area | 270.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.99097 |
| Heavy Atoms | 33 |
| Complexity | 879.0 |
Chemical Identifiers
| CAS Number | 90-91-5 |
|---|---|
| SMILES | C1=CN2C(=N1)C3=C(N=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O |
| InChIKey | WRRKCDBMZMTATQ-IOSLPCCCSA-N |
Product Overview
Aza-epsilon-ATP (CAS 90-91-5), with molecular formula C11H15N6O13P3 and molecular weight 531.99 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(3,5,7,8,9,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of Aza-epsilon-ATP
Property Insights of Aza-epsilon-ATP
The XLogP value of -5.8 indicates that Aza-epsilon-ATP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 270.0 Ų indicates high polarity, suggesting Aza-epsilon-ATP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aza-epsilon-ATP has 6 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 Aza-epsilon-ATP?
The CAS number of Aza-epsilon-ATP is 90-91-5.
What is the molecular formula of Aza-epsilon-ATP?
The molecular formula of Aza-epsilon-ATP is C11H15N6O13P3.
What is the molecular weight of Aza-epsilon-ATP?
The molecular weight of Aza-epsilon-ATP is 531.99 g/mol.
Where can I buy Aza-epsilon-ATP?
You can request a quote for Aza-epsilon-ATP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aza-epsilon-ATP?
Yes, KEHONG BIO provides custom synthesis services for Aza-epsilon-ATP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.