Adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester
TL;DR: Adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester (CAS 71738-02-8) is a chemical compound with molecular formula C16H17N6O8PS and molecular weight 484.0566 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy-(4-nitrophenoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol
Also Known As: Sid 769397, 5'-o-[hydroxy(4-nitrophenoxy)phosphorothioyl]adenosine, Adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester, (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy-(4-nitrophenoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol, Adenosine, 5'-(O-(4-nitrophenyl) hydrogen phosphorothioate), (S)-
Technical Specifications
| Molecular Formula | C16H17N6O8PS |
| Molecular Weight | 484.0566 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 236.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.0566 Da |
| Heavy Atoms | 32 |
| Complexity | 727.0 |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OP(=S)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O |
| InChIKey | PGDFJXBITWBGSR-QJYCJHSLSA-N |
Chemical Property Profile of Adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester
Property Insights of Adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester. The TPSA of 236.0 Ų indicates high polarity, suggesting Adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester?
The CAS number of Adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester is 71738-02-8.
What is the molecular formula of Adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester?
The molecular formula of Adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester is C16H17N6O8PS.
What is the molecular weight of Adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester?
The molecular weight of Adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester is 484.0566 g/mol.
Where can I buy Adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester?
You can request a quote for Adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester?
Yes, CoreyChem provides custom synthesis services for Adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.