Pyridoxal 5'-diphospho-5'-adenosine
TL;DR: Pyridoxal 5'-diphospho-5'-adenosine (CAS 4500-99-6) is a chemical compound with molecular formula C18H22N6O12P2 and molecular weight 576.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl hydrogen phosphate
Also Known As: ADP-Pyridoxal, Adenosine diphosphopyridoxal, pyridoxal 5'-diphospho-5'-adenosine, 5'-Adenosine-5'-diphosphopyridoxal, PYRIDOXAL-ADENINE DINUCLEOTIDE
| Molecular Formula | C18H22N6O12P2 |
|---|---|
| Molecular Weight | 576.08 g/mol |
| LogP | -3.6 |
| Topological Polar Surface Area | 272.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Exact Mass | 576.0771 |
| Heavy Atoms | 38 |
| Complexity | 938.0 |
Chemical Identifiers
| CAS Number | 4500-99-6 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)C=O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H](C(O2)N3C=NC4=C(N=CN=C43)N)O)O |
| InChIKey | RUIFPEPERZGNCR-HETNKJQDSA-N |
Product Overview
Pyridoxal 5'-diphospho-5'-adenosine (CAS 4500-99-6), with molecular formula C18H22N6O12P2 and molecular weight 576.08 g/mol. IUPAC: [[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl hydrogen phosphate.
Chemical Property Profile of Pyridoxal 5'-diphospho-5'-adenosine
Property Insights of Pyridoxal 5'-diphospho-5'-adenosine
The XLogP value of -3.6 indicates that Pyridoxal 5'-diphospho-5'-adenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 272.0 Ų indicates high polarity, suggesting Pyridoxal 5'-diphospho-5'-adenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyridoxal 5'-diphospho-5'-adenosine has 6 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyridoxal 5'-diphospho-5'-adenosine?
The CAS number of Pyridoxal 5'-diphospho-5'-adenosine is 4500-99-6.
What is the molecular formula of Pyridoxal 5'-diphospho-5'-adenosine?
The molecular formula of Pyridoxal 5'-diphospho-5'-adenosine is C18H22N6O12P2.
What is the molecular weight of Pyridoxal 5'-diphospho-5'-adenosine?
The molecular weight of Pyridoxal 5'-diphospho-5'-adenosine is 576.08 g/mol.
Where can I buy Pyridoxal 5'-diphospho-5'-adenosine?
You can request a quote for Pyridoxal 5'-diphospho-5'-adenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridoxal 5'-diphospho-5'-adenosine?
Yes, KEHONG BIO provides custom synthesis services for Pyridoxal 5'-diphospho-5'-adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.