Adenylosuccinate
TL;DR: Adenylosuccinate (CAS 19240-42-7) is a chemical compound with molecular formula C14H18N5O10P and molecular weight 447.07913 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-oxobutanoic acid
Also Known As: adenylosuccinate, Adenylosuccinic acid, 4-[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-oxobutanoic acid, 5'-Adenylic acid, monoanhydride with butanedioic acid, 2-[[9-[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
Technical Specifications
| Molecular Formula | C14H18N5O10P |
| Molecular Weight | 447.07913 g/mol |
| XLogP | -3.5 |
| Topological Polar Surface Area (TPSA) | 229.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 447.07913 Da |
| Heavy Atoms | 30 |
| Complexity | 700.0 |
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)CCC(=O)O)O)O)N |
| InChIKey | WWOOVEHSSMYXEJ-HLQSMOFHSA-N |
Chemical Property Profile of Adenylosuccinate
Property Insights of Adenylosuccinate
The XLogP value of -3.5 indicates that Adenylosuccinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 229.0 Ų indicates high polarity, suggesting Adenylosuccinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenylosuccinate has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Adenylosuccinate?
The CAS number of Adenylosuccinate is 19240-42-7.
What is the molecular formula of Adenylosuccinate?
The molecular formula of Adenylosuccinate is C14H18N5O10P.
What is the molecular weight of Adenylosuccinate?
The molecular weight of Adenylosuccinate is 447.07913 g/mol.
Where can I buy Adenylosuccinate?
You can request a quote for Adenylosuccinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Adenylosuccinate?
Yes, CoreyChem provides custom synthesis services for Adenylosuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.