Bis(5'-adenylyl) diphosphate
TL;DR: Bis(5'-adenylyl) diphosphate (CAS 5542-28-9) is a chemical compound with molecular formula C20H28N10O19P4 and molecular weight 836.0483 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Also Known As: AppppA, Ap4A, bis(5'-adenylyl) diphosphate, adenosine(5')tetraphospho(5')adenosine, A(5')p4(5')A
Technical Specifications
| Molecular Formula | C20H28N10O19P4 |
| Molecular Weight | 836.0483 g/mol |
| XLogP | -8.3 |
| Topological Polar Surface Area (TPSA) | 434.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 14 |
| Exact Mass | 836.0483 Da |
| Heavy Atoms | 53 |
| Complexity | 1410.0 |
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N |
| InChIKey | YOAHKNVSNCMZGQ-UHFFFAOYSA-N |
Chemical Property Profile of Bis(5'-adenylyl) diphosphate
Property Insights of Bis(5'-adenylyl) diphosphate
The XLogP value of -8.3 indicates that Bis(5'-adenylyl) diphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 434.0 Ų indicates high polarity, suggesting Bis(5'-adenylyl) diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(5'-adenylyl) diphosphate has 10 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bis(5'-adenylyl) diphosphate?
The CAS number of Bis(5'-adenylyl) diphosphate is 5542-28-9.
What is the molecular formula of Bis(5'-adenylyl) diphosphate?
The molecular formula of Bis(5'-adenylyl) diphosphate is C20H28N10O19P4.
What is the molecular weight of Bis(5'-adenylyl) diphosphate?
The molecular weight of Bis(5'-adenylyl) diphosphate is 836.0483 g/mol.
Where can I buy Bis(5'-adenylyl) diphosphate?
You can request a quote for Bis(5'-adenylyl) diphosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(5'-adenylyl) diphosphate?
Yes, CoreyChem provides custom synthesis services for Bis(5'-adenylyl) diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.