Adenosine triphosphopyridoxal
TL;DR: Adenosine triphosphopyridoxal (CAS 101418-86-4) is a chemical compound with molecular formula C18H23N6O15P3 and molecular weight 656.0434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy-hydroxyphosphoryl] hydrogen phosphate
Also Known As: Adenosine triphosphopyridoxal, AP3-PL, (2-methylthiophenylazo)-p-toluene, Pyridoxal 5 -triphosphoadenosine, J1.419.397I
Technical Specifications
| Molecular Formula | C18H23N6O15P3 |
| Molecular Weight | 656.0434 g/mol |
| XLogP | -4.7 |
| Topological Polar Surface Area (TPSA) | 318.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 12 |
| Exact Mass | 656.0434 Da |
| Heavy Atoms | 42 |
| Complexity | 1110.0 |
| SMILES | CC1=NC=C(C(=C1O)C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O |
| InChIKey | DGTZIRGKHKQBEL-XKLVTHTNSA-N |
Chemical Property Profile of Adenosine triphosphopyridoxal
Property Insights of Adenosine triphosphopyridoxal
The XLogP value of -4.7 indicates that Adenosine triphosphopyridoxal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 318.0 Ų indicates high polarity, suggesting Adenosine triphosphopyridoxal may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine triphosphopyridoxal has 7 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Adenosine triphosphopyridoxal?
The CAS number of Adenosine triphosphopyridoxal is 101418-86-4.
What is the molecular formula of Adenosine triphosphopyridoxal?
The molecular formula of Adenosine triphosphopyridoxal is C18H23N6O15P3.
What is the molecular weight of Adenosine triphosphopyridoxal?
The molecular weight of Adenosine triphosphopyridoxal is 656.0434 g/mol.
Where can I buy Adenosine triphosphopyridoxal?
You can request a quote for Adenosine triphosphopyridoxal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Adenosine triphosphopyridoxal?
Yes, CoreyChem provides custom synthesis services for Adenosine triphosphopyridoxal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.