α,β-亚甲基ATP
TL;DR: α,β-亚甲基ATP (CAS 7292-42-4) is a chemical compound with molecular formula C11H18N5O12P3 and molecular weight 505.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α,β-亚甲基ATP
[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
Also Known As: 1tmm, alpha,beta-Methylene ATP, ATP, alpha, beta methylene, Adenosine 5''-triphosphate derivative, diphosphomethylphosphonic acid adenosyl ester
| Molecular Formula | C11H18N5O12P3 |
|---|---|
| Molecular Weight | 505.02 g/mol |
| LogP | -5.9 |
| Topological Polar Surface Area | 270.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.01648 |
| Heavy Atoms | 31 |
| Complexity | 800.0 |
Chemical Identifiers
| CAS Number | 7292-42-4 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N |
| InChIKey | CAWZRIXWFRFUQB-UHFFFAOYSA-N |
Product Overview
α,β-亚甲基ATP (CAS 7292-42-4), with molecular formula C11H18N5O12P3 and molecular weight 505.02 g/mol. IUPAC: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid.
Chemical Property Profile of α,β-亚甲基ATP
Property Insights of α,β-亚甲基ATP
The XLogP value of -5.9 indicates that α,β-亚甲基ATP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 270.0 Ų indicates high polarity, suggesting α,β-亚甲基ATP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ATP, alpha, beta methylene has 7 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ATP, alpha, beta methylene?
The CAS number of ATP, alpha, beta methylene is 7292-42-4.
What is the molecular formula of ATP, alpha, beta methylene?
The molecular formula of ATP, alpha, beta methylene is C11H18N5O12P3.
What is the molecular weight of ATP, alpha, beta methylene?
The molecular weight of ATP, alpha, beta methylene is 505.02 g/mol.
Where can I buy ATP, alpha, beta methylene?
You can request a quote for ATP, alpha, beta methylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ATP, alpha, beta methylene?
Yes, KEHONG BIO provides custom synthesis services for ATP, alpha, beta methylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.