O(2')(3')-(ethyl-2-diazomalonyl)adenosine 5'-monophosphate
TL;DR: O(2')(3')-(ethyl-2-diazomalonyl)adenosine 5'-monophosphate (CAS 50769-45-4) is a chemical compound with molecular formula C15H18N7O10P and molecular weight 487.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]peroxy-2-diazo-3-oxopropanoate
Also Known As: Sid 768653, O(2')(3')-(Ethyl-2-diazomalonyl)adenosine 5'-monophosphate, 5'-Adenylic acid, mono(ethyl diazopropanedioate) (ester), Ethyl 3-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]peroxy-2-diazo-3-oxopropanoate, (E)-3-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]peroxy-2-diazonio-1-ethoxy-3-oxoprop-1-en-1-olate
| Molecular Formula | C15H18N7O10P |
|---|---|
| Molecular Weight | 487.09 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 487.08527 |
| Heavy Atoms | 33 |
| Complexity | 842.0 |
Chemical Identifiers
| CAS Number | 50769-45-4 |
|---|---|
| SMILES | CCOC(=O)C(=[N+]=[N-])C(=O)OOP(=O)(O)OC[C@@H]1C[C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O |
| InChIKey | FBCKJBOKVIDDRM-HHURGBBESA-N |
Product Overview
O(2')(3')-(ethyl-2-diazomalonyl)adenosine 5'-monophosphate (CAS 50769-45-4), with molecular formula C15H18N7O10P and molecular weight 487.09 g/mol. IUPAC: ethyl 3-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]peroxy-2-diazo-3-oxopropanoate.
Chemical Property Profile of O(2')(3')-(ethyl-2-diazomalonyl)adenosine 5'-monophosphate
Property Insights of O(2')(3')-(ethyl-2-diazomalonyl)adenosine 5'-monophosphate
The XLogP value of -0.8 indicates that O(2')(3')-(ethyl-2-diazomalonyl)adenosine 5'-monophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 209.0 Ų indicates high polarity, suggesting O(2')(3')-(ethyl-2-diazomalonyl)adenosine 5'-monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O(2')(3')-(ethyl-2-diazomalonyl)adenosine 5'-monophosphate has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O(2')(3')-(ethyl-2-diazomalonyl)adenosine 5'-monophosphate?
The CAS number of O(2')(3')-(ethyl-2-diazomalonyl)adenosine 5'-monophosphate is 50769-45-4.
What is the molecular formula of O(2')(3')-(ethyl-2-diazomalonyl)adenosine 5'-monophosphate?
The molecular formula of O(2')(3')-(ethyl-2-diazomalonyl)adenosine 5'-monophosphate is C15H18N7O10P.
What is the molecular weight of O(2')(3')-(ethyl-2-diazomalonyl)adenosine 5'-monophosphate?
The molecular weight of O(2')(3')-(ethyl-2-diazomalonyl)adenosine 5'-monophosphate is 487.09 g/mol.
Where can I buy O(2')(3')-(ethyl-2-diazomalonyl)adenosine 5'-monophosphate?
You can request a quote for O(2')(3')-(ethyl-2-diazomalonyl)adenosine 5'-monophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O(2')(3')-(ethyl-2-diazomalonyl)adenosine 5'-monophosphate?
Yes, KEHONG BIO provides custom synthesis services for O(2')(3')-(ethyl-2-diazomalonyl)adenosine 5'-monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.