ATP Dialdehyde
TL;DR: ATP Dialdehyde (CAS 54970-91-1) is a chemical compound with molecular formula C10H14N5O13P3 and molecular weight 504.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: ATP Dialdehyde, Oxidised ATP, 2',3'-dialdehyde ATP, [[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate
| Molecular Formula | C10H14N5O13P3 |
|---|---|
| Molecular Weight | 504.98 g/mol |
| LogP | -0.9666 |
| Topological Polar Surface Area | 272.81 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 504.9801 |
| Heavy Atoms | 31 |
| Complexity | 1100.7844 |
Chemical Identifiers
| CAS Number | 54970-91-1 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C(C=O)OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C=O)N |
Product Overview
ATP Dialdehyde (CAS 54970-91-1), with molecular formula C10H14N5O13P3 and molecular weight 504.98 g/mol. IUPAC: [[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of ATP Dialdehyde
Property Insights of ATP Dialdehyde
The XLogP value of -0.9666 indicates that ATP Dialdehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 272.81 Ų indicates high polarity, suggesting ATP Dialdehyde may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ATP Dialdehyde has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ATP Dialdehyde?
The CAS number of ATP Dialdehyde is 54970-91-1.
What is the molecular formula of ATP Dialdehyde?
The molecular formula of ATP Dialdehyde is C10H14N5O13P3.
What is the molecular weight of ATP Dialdehyde?
The molecular weight of ATP Dialdehyde is 504.98 g/mol.
Where can I buy ATP Dialdehyde?
You can request a quote for ATP Dialdehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ATP Dialdehyde?
Yes, KEHONG BIO provides custom synthesis services for ATP Dialdehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.