adenosine 5'-(aminocarbonyl)phosphonate
TL;DR: adenosine 5'-(aminocarbonyl)phosphonate (CAS 102831-55-0) is a chemical compound with molecular formula C11H15N6O7P and molecular weight 374.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-carbamoylphosphinic acid
Also Known As: adenosine 5'-(aminocarbonyl)phosphonate, 5'-O-[Carbamoyl(hydroxy)phosphoryl]adenosine, 9H-Purin-6-amine, 9-(5-O-((aminocarbonyl)hydroxyphosphinyl)-beta-D-ribofuranosyl)-, 9H-Purin-6-amine, 9-[5-O-[(aminocarbonyl)hydroxyphosphinyl]-.beta.-D-ribofuranosyl]-, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-carbamoyl-phosphinic acid
| Molecular Formula | C11H15N6O7P |
|---|---|
| Molecular Weight | 374.07 g/mol |
| LogP | -1.6916 |
| Topological Polar Surface Area | 208.93 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.07397 |
| Heavy Atoms | 25 |
| Complexity | 858.5573 |
Chemical Identifiers
| CAS Number | 102831-55-0 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(C(=O)N)O)O)O)N |
Product Overview
adenosine 5'-(aminocarbonyl)phosphonate (CAS 102831-55-0), with molecular formula C11H15N6O7P and molecular weight 374.07 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-carbamoylphosphinic acid.
Chemical Property Profile of adenosine 5'-(aminocarbonyl)phosphonate
Property Insights of adenosine 5'-(aminocarbonyl)phosphonate
The XLogP value of -1.6916 indicates that adenosine 5'-(aminocarbonyl)phosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 208.93 Ų indicates high polarity, suggesting adenosine 5'-(aminocarbonyl)phosphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, adenosine 5'-(aminocarbonyl)phosphonate has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of adenosine 5'-(aminocarbonyl)phosphonate?
The CAS number of adenosine 5'-(aminocarbonyl)phosphonate is 102831-55-0.
What is the molecular formula of adenosine 5'-(aminocarbonyl)phosphonate?
The molecular formula of adenosine 5'-(aminocarbonyl)phosphonate is C11H15N6O7P.
What is the molecular weight of adenosine 5'-(aminocarbonyl)phosphonate?
The molecular weight of adenosine 5'-(aminocarbonyl)phosphonate is 374.07 g/mol.
Where can I buy adenosine 5'-(aminocarbonyl)phosphonate?
You can request a quote for adenosine 5'-(aminocarbonyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for adenosine 5'-(aminocarbonyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for adenosine 5'-(aminocarbonyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.