Tnp-ATP(5-)
TL;DR: Tnp-ATP(5-) (CAS 61368-63-6) is a chemical compound with molecular formula C16H12N8O19P3-5 and molecular weight 712.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-3'-dioxidoazaniumylidene-1',5'-dinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,4-diene]-6-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
Also Known As: Mgtnp-ATP, Tnp-ATP, TNP-ATP(5-), 2',3'-O-(2,4,6-Trinitrophenyl)-ATP, 2',3'-O-(2,4,6-Trinitrophenyl)adenosine 5'-triphosphate
| Molecular Formula | C16H12N8O19P3-5 |
|---|---|
| Molecular Weight | 712.94 g/mol |
| LogP | -6.6 |
| Topological Polar Surface Area | 406.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 7 |
| Exact Mass | 712.9432 |
| Heavy Atoms | 46 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 61368-63-6 |
|---|---|
| SMILES | C1=C(C2(C(=CC1=[N+]([O-])[O-])[N+](=O)[O-])O[C@@H]3[C@H](O[C@H]([C@@H]3O2)N4C=NC5=C(N=CN=C54)N)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[N+](=O)[O-] |
| InChIKey | LQZBDVDATBCNNN-UHEGPQQHSA-J |
Product Overview
Tnp-ATP(5-) (CAS 61368-63-6), with molecular formula C16H12N8O19P3-5 and molecular weight 712.94 g/mol. IUPAC: [[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-3'-dioxidoazaniumylidene-1',5'-dinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,4-diene]-6-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.
Chemical Property Profile of Tnp-ATP(5-)
Property Insights of Tnp-ATP(5-)
The XLogP value of -6.6 indicates that Tnp-ATP(5-) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 406.0 Ų indicates high polarity, suggesting Tnp-ATP(5-) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tnp-ATP(5-) has 1 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tnp-ATP(5-)?
The CAS number of Tnp-ATP(5-) is 61368-63-6.
What is the molecular formula of Tnp-ATP(5-)?
The molecular formula of Tnp-ATP(5-) is C16H12N8O19P3-5.
What is the molecular weight of Tnp-ATP(5-)?
The molecular weight of Tnp-ATP(5-) is 712.94 g/mol.
Where can I buy Tnp-ATP(5-)?
You can request a quote for Tnp-ATP(5-) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tnp-ATP(5-)?
Yes, KEHONG BIO provides custom synthesis services for Tnp-ATP(5-) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.