![[4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate structure](/static/products/5526/55263-63-3.webp)
[4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate
TL;DR: [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate (CAS 55263-63-3) is a chemical compound with molecular formula C20H26N6O9S and molecular weight 526.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate
Also Known As: [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate|N,N-dimethyl-2-(methylsulfanyl)-9-(2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranosyl)-9H-purin-6-amine
| Molecular Formula | C20H26N6O9S |
|---|---|
| Molecular Weight | 526.15 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 526.1482 |
| Heavy Atoms | 36 |
| Complexity | 845.0 |
Chemical Identifiers
| CAS Number | 55263-63-3 |
|---|---|
| SMILES | CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)N2C=NC3=C2N=C(N=C3N(C)C)SC)C[N+](=O)[O-] |
| InChIKey | NIWOETOITSXOJW-UHFFFAOYSA-N |
Product Overview
[4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate (CAS 55263-63-3), with molecular formula C20H26N6O9S and molecular weight 526.15 g/mol. IUPAC: [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate.
Chemical Property Profile of [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate
Property Insights of [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate. The TPSA of 206.0 Ų indicates high polarity, suggesting [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate?
The CAS number of [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate is 55263-63-3.
What is the molecular formula of [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate?
The molecular formula of [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate is C20H26N6O9S.
What is the molecular weight of [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate?
The molecular weight of [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate is 526.15 g/mol.
Where can I buy [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate?
You can request a quote for [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.