2'-deoxyadenosine 5'-(hydroxycarbonyl)phosphonate
TL;DR: 2'-deoxyadenosine 5'-(hydroxycarbonyl)phosphonate (CAS 102831-50-5) is a chemical compound with molecular formula C11H14N5O7P and molecular weight 359.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]formic acid
Also Known As: 2'-deoxyadenosine 5'-(hydroxycarbonyl)phosphonate, 9H-Purin-6-amine, 9-(5-O-(carboxyhydroxyphosphinyl)-2-deoxy-beta-D-erythro-pentofuranosyl)-, 5'-O-[Carboxy(hydroxy)phosphoryl]-2'-deoxyadenosine, [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]formic acid, [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]formic acid
| Molecular Formula | C11H14N5O7P |
|---|---|
| Molecular Weight | 359.06 g/mol |
| LogP | -0.0631 |
| Topological Polar Surface Area | 182.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.06308 |
| Heavy Atoms | 24 |
| Complexity | 826.1955 |
Chemical Identifiers
| CAS Number | 102831-50-5 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(C(=O)O)O)O |
Product Overview
2'-deoxyadenosine 5'-(hydroxycarbonyl)phosphonate (CAS 102831-50-5), with molecular formula C11H14N5O7P and molecular weight 359.06 g/mol. IUPAC: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]formic acid.
Chemical Property Profile of 2'-deoxyadenosine 5'-(hydroxycarbonyl)phosphonate
Property Insights of 2'-deoxyadenosine 5'-(hydroxycarbonyl)phosphonate
The XLogP value of -0.0631 indicates that 2'-deoxyadenosine 5'-(hydroxycarbonyl)phosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 182.91 Ų indicates high polarity, suggesting 2'-deoxyadenosine 5'-(hydroxycarbonyl)phosphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-deoxyadenosine 5'-(hydroxycarbonyl)phosphonate has 4 hydrogen bond donor(s) and 9 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 2'-deoxyadenosine 5'-(hydroxycarbonyl)phosphonate?
The CAS number of 2'-deoxyadenosine 5'-(hydroxycarbonyl)phosphonate is 102831-50-5.
What is the molecular formula of 2'-deoxyadenosine 5'-(hydroxycarbonyl)phosphonate?
The molecular formula of 2'-deoxyadenosine 5'-(hydroxycarbonyl)phosphonate is C11H14N5O7P.
What is the molecular weight of 2'-deoxyadenosine 5'-(hydroxycarbonyl)phosphonate?
The molecular weight of 2'-deoxyadenosine 5'-(hydroxycarbonyl)phosphonate is 359.06 g/mol.
Where can I buy 2'-deoxyadenosine 5'-(hydroxycarbonyl)phosphonate?
You can request a quote for 2'-deoxyadenosine 5'-(hydroxycarbonyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-deoxyadenosine 5'-(hydroxycarbonyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for 2'-deoxyadenosine 5'-(hydroxycarbonyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.