Adenylosuccinic acid
TL;DR: Adenylosuccinic acid (CAS 19046-78-7) is a chemical compound with molecular formula C14H18N5O11P and molecular weight 463.07404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[9-[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
Also Known As: Adenylosuccinic acid, Aspartyl adenylate, adenylosuccinate, Adenylosuccinate;Aspartyl adenylate, 2-[[9-[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
Technical Specifications
| Molecular Formula | C14H18N5O11P |
| Molecular Weight | 463.07404 g/mol |
| XLogP | -3.2 |
| Topological Polar Surface Area (TPSA) | 247.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 463.07404 Da |
| Heavy Atoms | 31 |
| Complexity | 725.0 |
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)NC(CC(=O)O)C(=O)O |
| InChIKey | OFBHPPMPBOJXRT-UHFFFAOYSA-N |
Chemical Property Profile of Adenylosuccinic acid
Property Insights of Adenylosuccinic acid
The XLogP value of -3.2 indicates that Adenylosuccinic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 247.0 Ų indicates high polarity, suggesting Adenylosuccinic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenylosuccinic acid has 7 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Adenylosuccinic acid?
The CAS number of Adenylosuccinic acid is 19046-78-7.
What is the molecular formula of Adenylosuccinic acid?
The molecular formula of Adenylosuccinic acid is C14H18N5O11P.
What is the molecular weight of Adenylosuccinic acid?
The molecular weight of Adenylosuccinic acid is 463.07404 g/mol.
Where can I buy Adenylosuccinic acid?
You can request a quote for Adenylosuccinic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Adenylosuccinic acid?
Yes, CoreyChem provides custom synthesis services for Adenylosuccinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.