Adenosine 3'-diphosphate 5'-diphosphate
TL;DR: Adenosine 3'-diphosphate 5'-diphosphate (CAS 339-25-3) is a chemical compound with molecular formula C10H17N5O16P4 and molecular weight 586.96 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)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate
Also Known As: ppApp, adenosine 3',5'-bis(trihydrogen diphosphate), Adenosine 3'-diphosphate 5'-diphosphate, adenosine-3',5'-bis-diphosphate, Adenosine-5'-3'(2')-bis(diphosphate)
| Molecular Formula | C10H17N5O16P4 |
|---|---|
| Molecular Weight | 586.96 g/mol |
| LogP | -6.8 |
| Topological Polar Surface Area | 326.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 10 |
| Exact Mass | 586.9621 |
| Heavy Atoms | 35 |
| Complexity | 961.0 |
Chemical Identifiers
| CAS Number | 339-25-3 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N |
| InChIKey | DWZMGWMGGHNJLF-KQYNXXCUSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Adenosine 3'-diphosphate 5'-diphosphate (CAS 339-25-3), with molecular formula C10H17N5O16P4 and molecular weight 586.96 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate.
Chemical Property Profile of Adenosine 3'-diphosphate 5'-diphosphate
Property Insights of Adenosine 3'-diphosphate 5'-diphosphate
The XLogP value of -6.8 indicates that Adenosine 3'-diphosphate 5'-diphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 326.0 Ų indicates high polarity, suggesting Adenosine 3'-diphosphate 5'-diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine 3'-diphosphate 5'-diphosphate has 8 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adenosine 3'-diphosphate 5'-diphosphate?
The CAS number of Adenosine 3'-diphosphate 5'-diphosphate is 339-25-3.
What is the molecular formula of Adenosine 3'-diphosphate 5'-diphosphate?
The molecular formula of Adenosine 3'-diphosphate 5'-diphosphate is C10H17N5O16P4.
What is the molecular weight of Adenosine 3'-diphosphate 5'-diphosphate?
The molecular weight of Adenosine 3'-diphosphate 5'-diphosphate is 586.96 g/mol.
Where can I buy Adenosine 3'-diphosphate 5'-diphosphate?
You can request a quote for Adenosine 3'-diphosphate 5'-diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine 3'-diphosphate 5'-diphosphate?
Yes, KEHONG BIO provides custom synthesis services for Adenosine 3'-diphosphate 5'-diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.