Diadenosine pyrophosphate
TL;DR: Diadenosine pyrophosphate (CAS 17877-23-5) is a chemical compound with molecular formula C20H26N10O13P2 and molecular weight 676.12 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] [(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
Also Known As: Diadenosine diphosphate, Diadenosine pyrophosphate, APPA, Diadenosine-5',5'-pyrophosphate, amino-propylphosphinic acid
| Molecular Formula | C20H26N10O13P2 |
|---|---|
| Molecular Weight | 676.12 g/mol |
| LogP | -6.1 |
| Topological Polar Surface Area | 341.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 10 |
| Exact Mass | 676.1156 |
| Heavy Atoms | 45 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 17877-23-5 |
|---|---|
| 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[C@@H]4[C@H](O[C@@H]([C@@H]4O)N5C=NC6=C(N=CN=C65)N)CO)O)O)N |
| InChIKey | FHISWBUCBBVWGG-SNESVTBZSA-N |
Product Overview
Diadenosine pyrophosphate (CAS 17877-23-5), with molecular formula C20H26N10O13P2 and molecular weight 676.12 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate.
Chemical Property Profile of Diadenosine pyrophosphate
Property Insights of Diadenosine pyrophosphate
The XLogP value of -6.1 indicates that Diadenosine pyrophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 341.0 Ų indicates high polarity, suggesting Diadenosine pyrophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diadenosine pyrophosphate has 8 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diadenosine pyrophosphate?
The CAS number of Diadenosine pyrophosphate is 17877-23-5.
What is the molecular formula of Diadenosine pyrophosphate?
The molecular formula of Diadenosine pyrophosphate is C20H26N10O13P2.
What is the molecular weight of Diadenosine pyrophosphate?
The molecular weight of Diadenosine pyrophosphate is 676.12 g/mol.
Where can I buy Diadenosine pyrophosphate?
You can request a quote for Diadenosine pyrophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diadenosine pyrophosphate?
Yes, KEHONG BIO provides custom synthesis services for Diadenosine pyrophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.