Aopta
TL;DR: Aopta (CAS 80186-83-0) is a chemical compound with molecular formula C20H26N10O12P2S and molecular weight 694.10 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] [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[hydroxy(oxidanyl)(18O)phosphinothioyl]oxymethyl]oxolan-2-yl]methyl hydrogen phosphate
Also Known As: AOPTA, Adenyl-5'-O-phosphorothioate-(3'-5')adenosine, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl] [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[hydroxy(oxidanyl)(18O)phosphinothioyl]oxymethyl]oxolan-2-yl]methyl hydrogen phosphate, Adenosine, 5'-O-(hydroxyhydroxy-18O-phosphinothioyl)adenylyl-(3'-5')-, (S)-, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl] [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[hydroxy(oxidanyl)phosphinothioyl]oxymethyl]oxolan-2-yl]methyl hydrogen phosphate
| Molecular Formula | C20H26N10O12P2S |
|---|---|
| Molecular Weight | 694.10 g/mol |
| LogP | -2.3589 |
| Topological Polar Surface Area | 323.84 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 694.097 |
| Heavy Atoms | 45 |
| Complexity | 1808.5052 |
Chemical Identifiers
| CAS Number | 80186-83-0 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)COP(=S)(O)[18OH])O)N |
Product Overview
Aopta (CAS 80186-83-0), with molecular formula C20H26N10O12P2S and molecular weight 694.10 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl] [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[hydroxy(oxidanyl)(18O)phosphinothioyl]oxymethyl]oxolan-2-yl]methyl hydrogen phosphate.
Chemical Property Profile of Aopta
Property Insights of Aopta
The XLogP value of -2.3589 indicates that Aopta is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 323.84 Ų indicates high polarity, suggesting Aopta may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aopta has 8 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aopta?
The CAS number of Aopta is 80186-83-0.
What is the molecular formula of Aopta?
The molecular formula of Aopta is C20H26N10O12P2S.
What is the molecular weight of Aopta?
The molecular weight of Aopta is 694.10 g/mol.
Where can I buy Aopta?
You can request a quote for Aopta directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aopta?
Yes, KEHONG BIO provides custom synthesis services for Aopta and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.