3'-Deoxyadenylate
TL;DR: 3'-Deoxyadenylate (CAS 17434-81-0) is a chemical compound with molecular formula C10H14N5O6P and molecular weight 331.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: 3'-deoxyadenylate, 3'-deoxyadenylic acid, 3/'-Deoxyadenylate, 3'-deoxy-5'-adenylic acid, Cordycepin 5'-phosphate
| Molecular Formula | C10H14N5O6P |
|---|---|
| Molecular Weight | 331.07 g/mol |
| LogP | -0.8338 |
| Topological Polar Surface Area | 165.84 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.06818 |
| Heavy Atoms | 22 |
| Complexity | 731.66547 |
Chemical Identifiers
| CAS Number | 17434-81-0 |
|---|---|
| SMILES | C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O |
Product Overview
3'-Deoxyadenylate (CAS 17434-81-0), with molecular formula C10H14N5O6P and molecular weight 331.07 g/mol. IUPAC: [(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 3'-Deoxyadenylate
Property Insights of 3'-Deoxyadenylate
The XLogP value of -0.8338 indicates that 3'-Deoxyadenylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 165.84 Ų indicates high polarity, suggesting 3'-Deoxyadenylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Deoxyadenylate has 4 hydrogen bond donor(s) and 8 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 3'-Deoxyadenylate?
The CAS number of 3'-Deoxyadenylate is 17434-81-0.
What is the molecular formula of 3'-Deoxyadenylate?
The molecular formula of 3'-Deoxyadenylate is C10H14N5O6P.
What is the molecular weight of 3'-Deoxyadenylate?
The molecular weight of 3'-Deoxyadenylate is 331.07 g/mol.
Where can I buy 3'-Deoxyadenylate?
You can request a quote for 3'-Deoxyadenylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Deoxyadenylate?
Yes, KEHONG BIO provides custom synthesis services for 3'-Deoxyadenylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.