2'-O-Methyl-ATP
TL;DR: 2'-O-Methyl-ATP (CAS 100020-58-4) is a chemical compound with molecular formula C11H18N5O13P3 and molecular weight 521.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: 2'-O-Methyl-ATP, 2'OMe-ATP.Na, 2'-O-Me-ATP, 2'-O-methyladenosine-5'-triphosphate, Adenosine 5''-triphosphate derivative
| Molecular Formula | C11H18N5O13P3 |
|---|---|
| Molecular Weight | 521.01 g/mol |
| LogP | -0.9749 |
| Topological Polar Surface Area | 268.13 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 521.0114 |
| Heavy Atoms | 32 |
| Complexity | 1122.1245 |
Chemical Identifiers
| CAS Number | 100020-58-4 |
|---|---|
| SMILES | CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
Product Overview
2'-O-Methyl-ATP (CAS 100020-58-4), with molecular formula C11H18N5O13P3 and molecular weight 521.01 g/mol. IUPAC: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 2'-O-Methyl-ATP
Property Insights of 2'-O-Methyl-ATP
The XLogP value of -0.9749 indicates that 2'-O-Methyl-ATP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 268.13 Ų indicates high polarity, suggesting 2'-O-Methyl-ATP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-O-Methyl-ATP has 6 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 2'-O-Methyl-ATP?
The CAS number of 2'-O-Methyl-ATP is 100020-58-4.
What is the molecular formula of 2'-O-Methyl-ATP?
The molecular formula of 2'-O-Methyl-ATP is C11H18N5O13P3.
What is the molecular weight of 2'-O-Methyl-ATP?
The molecular weight of 2'-O-Methyl-ATP is 521.01 g/mol.
Where can I buy 2'-O-Methyl-ATP?
You can request a quote for 2'-O-Methyl-ATP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-O-Methyl-ATP?
Yes, KEHONG BIO provides custom synthesis services for 2'-O-Methyl-ATP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.