(2)'(3')-O-acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane
TL;DR: (2)'(3')-O-acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane (CAS 96622-00-3) is a chemical compound with molecular formula C26H33N11O10 and molecular weight 659.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R)-2-[6-[2-[[9-[(2R,3R,4R,5R)-3-acetyloxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 2-aminoacetate
Also Known As: Oaogdae, KST-1A9152, (2)'(3')-O-Acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane, [(2R,3R,4R,5R)-2-[6-[2-[[9-[(2R,3R,4R,5R)-3-acetyloxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 2-aminoacetate, (2r,3r,4r,5r)-2-(6-{[2-({9-[(2r,3r,4r,5r)-3-(acetyloxy)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-9h-purin-6-yl}amino)ethyl]amino}-9h-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl aminoacetate(non-preferred name)
| Molecular Formula | C26H33N11O10 |
|---|---|
| Molecular Weight | 659.24 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 289.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 14 |
| Exact Mass | 659.2412 |
| Heavy Atoms | 47 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 96622-00-3 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NCCNC4=C5C(=NC=N4)N(C=N5)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)OC(=O)CN)CO)O |
| InChIKey | SWEBIRDELTYPIK-DQSURDJZSA-N |
Product Overview
(2)'(3')-O-acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane (CAS 96622-00-3), with molecular formula C26H33N11O10 and molecular weight 659.24 g/mol. IUPAC: [(2R,3R,4R,5R)-2-[6-[2-[[9-[(2R,3R,4R,5R)-3-acetyloxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 2-aminoacetate.
Chemical Property Profile of (2)'(3')-O-acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane
Property Insights of (2)'(3')-O-acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane
The XLogP value of -2.5 indicates that (2)'(3')-O-acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 289.0 Ų indicates high polarity, suggesting (2)'(3')-O-acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2)'(3')-O-acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane has 7 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2)'(3')-O-acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane?
The CAS number of (2)'(3')-O-acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane is 96622-00-3.
What is the molecular formula of (2)'(3')-O-acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane?
The molecular formula of (2)'(3')-O-acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane is C26H33N11O10.
What is the molecular weight of (2)'(3')-O-acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane?
The molecular weight of (2)'(3')-O-acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane is 659.24 g/mol.
Where can I buy (2)'(3')-O-acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane?
You can request a quote for (2)'(3')-O-acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2)'(3')-O-acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane?
Yes, KEHONG BIO provides custom synthesis services for (2)'(3')-O-acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.