Acetyl adenylate
TL;DR: Acetyl adenylate (CAS 6917-64-2) is a chemical compound with molecular formula C12H16N5O8P and molecular weight 389.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] acetate
Also Known As: Acetyl adenylate, Gallium,dimethyl(2-methyl-2-propanolato) (9CI), [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] acetate, 9-{5-O-[(Acetyloxy)(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine
| Molecular Formula | C12H16N5O8P |
|---|---|
| Molecular Weight | 389.07 g/mol |
| LogP | -1.2922 |
| Topological Polar Surface Area | 192.14 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.07364 |
| Heavy Atoms | 26 |
| Complexity | 874.42267 |
Chemical Identifiers
| CAS Number | 6917-64-2 |
|---|---|
| SMILES | CC(=O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O |
Product Overview
Acetyl adenylate (CAS 6917-64-2), with molecular formula C12H16N5O8P and molecular weight 389.07 g/mol. IUPAC: [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] acetate.
Chemical Property Profile of Acetyl adenylate
Property Insights of Acetyl adenylate
The XLogP value of -1.2922 indicates that Acetyl adenylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 192.14 Ų indicates high polarity, suggesting Acetyl adenylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetyl adenylate has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetyl adenylate?
The CAS number of Acetyl adenylate is 6917-64-2.
What is the molecular formula of Acetyl adenylate?
The molecular formula of Acetyl adenylate is C12H16N5O8P.
What is the molecular weight of Acetyl adenylate?
The molecular weight of Acetyl adenylate is 389.07 g/mol.
Where can I buy Acetyl adenylate?
You can request a quote for Acetyl adenylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyl adenylate?
Yes, KEHONG BIO provides custom synthesis services for Acetyl adenylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.