Cyclic adenosine-5'-trimetaphosphate
TL;DR: Cyclic adenosine-5'-trimetaphosphate (CAS 58499-84-6) is a chemical compound with molecular formula C10H14N5O12P3 and molecular weight 488.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]oxolane-3,4-diol
Also Known As: CATMP, ATMP, Adenosine-5'-trimetaphosphate, adenosine 5'-trimetaphosphate, Monoadenosine 5'-trimetaphosphate
| Molecular Formula | C10H14N5O12P3 |
|---|---|
| Molecular Weight | 488.99 g/mol |
| LogP | -4.7 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.98517 |
| Heavy Atoms | 30 |
| Complexity | 792.0 |
Chemical Identifiers
| CAS Number | 58499-84-6 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP4(=O)OP(=O)(OP(=O)(O4)O)O)O)O)N |
| InChIKey | AJXBDVJYPUYBBS-KQYNXXCUSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclic adenosine-5'-trimetaphosphate (CAS 58499-84-6), with molecular formula C10H14N5O12P3 and molecular weight 488.99 g/mol. IUPAC: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]oxolane-3,4-diol.
Chemical Property Profile of Cyclic adenosine-5'-trimetaphosphate
Property Insights of Cyclic adenosine-5'-trimetaphosphate
The XLogP value of -4.7 indicates that Cyclic adenosine-5'-trimetaphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 248.0 Ų indicates high polarity, suggesting Cyclic adenosine-5'-trimetaphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclic adenosine-5'-trimetaphosphate has 5 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 Cyclic adenosine-5'-trimetaphosphate?
The CAS number of Cyclic adenosine-5'-trimetaphosphate is 58499-84-6.
What is the molecular formula of Cyclic adenosine-5'-trimetaphosphate?
The molecular formula of Cyclic adenosine-5'-trimetaphosphate is C10H14N5O12P3.
What is the molecular weight of Cyclic adenosine-5'-trimetaphosphate?
The molecular weight of Cyclic adenosine-5'-trimetaphosphate is 488.99 g/mol.
Where can I buy Cyclic adenosine-5'-trimetaphosphate?
You can request a quote for Cyclic adenosine-5'-trimetaphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclic adenosine-5'-trimetaphosphate?
Yes, KEHONG BIO provides custom synthesis services for Cyclic adenosine-5'-trimetaphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.