Adenylyl 5'-peroxydiphosphate
TL;DR: Adenylyl 5'-peroxydiphosphate (CAS 80589-10-2) is a chemical compound with molecular formula C10H16N5O14P3 and molecular weight 522.99 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] [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate
Also Known As: Amp-PO2P, beta,gamma-Peroxy-ATP, Adenylyl 5'-peroxydiphosphate, Adenosine 5'-(beta,gamma-peroxytriphosphate), 5'-Adenylic acid, monoanhydride with peroxydiphosphoric acid (((HO)2P(O))2O2)
| Molecular Formula | C10H16N5O14P3 |
|---|---|
| Molecular Weight | 522.99 g/mol |
| LogP | -5.7 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 522.99066 |
| Heavy Atoms | 32 |
| Complexity | 822.0 |
Chemical Identifiers
| CAS Number | 80589-10-2 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OO)O)O)N |
| InChIKey | SGQCMEQGDCLJBU-KQYNXXCUSA-N |
Product Overview
Adenylyl 5'-peroxydiphosphate (CAS 80589-10-2), with molecular formula C10H16N5O14P3 and molecular weight 522.99 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate.
Chemical Property Profile of Adenylyl 5'-peroxydiphosphate
Property Insights of Adenylyl 5'-peroxydiphosphate
The XLogP value of -5.7 indicates that Adenylyl 5'-peroxydiphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 288.0 Ų indicates high polarity, suggesting Adenylyl 5'-peroxydiphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenylyl 5'-peroxydiphosphate has 7 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 Adenylyl 5'-peroxydiphosphate?
The CAS number of Adenylyl 5'-peroxydiphosphate is 80589-10-2.
What is the molecular formula of Adenylyl 5'-peroxydiphosphate?
The molecular formula of Adenylyl 5'-peroxydiphosphate is C10H16N5O14P3.
What is the molecular weight of Adenylyl 5'-peroxydiphosphate?
The molecular weight of Adenylyl 5'-peroxydiphosphate is 522.99 g/mol.
Where can I buy Adenylyl 5'-peroxydiphosphate?
You can request a quote for Adenylyl 5'-peroxydiphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenylyl 5'-peroxydiphosphate?
Yes, KEHONG BIO provides custom synthesis services for Adenylyl 5'-peroxydiphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.