Phosphoaminophosphonic Acid-Adenylate Ester
TL;DR: Phosphoaminophosphonic Acid-Adenylate Ester (CAS 114661-04-0) is a chemical compound with molecular formula C10H17N6O12P3 and molecular weight 506.01172 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]phosphonic acid
Also Known As: ADENYLYL IMIDODIPHOSPHATE, phosphoaminophosphonic acid-adenylate ester, (((((((2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)amino)phosphonic acid, ({[({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}amino)phosphonic acid, [[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]phosphonic acid
Technical Specifications
| Molecular Formula | C10H17N6O12P3 |
| Molecular Weight | 506.01172 g/mol |
| XLogP | -6.0 |
| Topological Polar Surface Area (TPSA) | 282.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.01172 Da |
| Heavy Atoms | 31 |
| Complexity | 801.0 |
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3C([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N |
| InChIKey | PVKSNHVPLWYQGJ-CPTYKQRNSA-N |
Chemical Property Profile of Phosphoaminophosphonic Acid-Adenylate Ester
Property Insights of Phosphoaminophosphonic Acid-Adenylate Ester
The XLogP value of -6.0 indicates that Phosphoaminophosphonic Acid-Adenylate Ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 282.0 Ų indicates high polarity, suggesting Phosphoaminophosphonic Acid-Adenylate Ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phosphoaminophosphonic Acid-Adenylate Ester has 8 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Phosphoaminophosphonic Acid-Adenylate Ester?
The CAS number of Phosphoaminophosphonic Acid-Adenylate Ester is 114661-04-0.
What is the molecular formula of Phosphoaminophosphonic Acid-Adenylate Ester?
The molecular formula of Phosphoaminophosphonic Acid-Adenylate Ester is C10H17N6O12P3.
What is the molecular weight of Phosphoaminophosphonic Acid-Adenylate Ester?
The molecular weight of Phosphoaminophosphonic Acid-Adenylate Ester is 506.01172 g/mol.
Where can I buy Phosphoaminophosphonic Acid-Adenylate Ester?
You can request a quote for Phosphoaminophosphonic Acid-Adenylate Ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphoaminophosphonic Acid-Adenylate Ester?
Yes, CoreyChem provides custom synthesis services for Phosphoaminophosphonic Acid-Adenylate Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.