2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt
TL;DR: 2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt (CAS 807261-75-2) is a chemical compound with molecular formula C16H15N8O13P and molecular weight 558.05 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)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate
Also Known As: Tnp-amp, 2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt, [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate
| Molecular Formula | C16H15N8O13P |
|---|---|
| Molecular Weight | 558.05 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 302.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 4 |
| Exact Mass | 558.0496 |
| Heavy Atoms | 38 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 807261-75-2 |
|---|---|
| SMILES | C1=C(C=C(C2(C1[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)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GPCDUYSOKJJUAN-DIBLVGDCSA-N |
Product Overview
2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt (CAS 807261-75-2), with molecular formula C16H15N8O13P and molecular weight 558.05 g/mol. IUPAC: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt
Property Insights of 2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt
The XLogP value of -2.6 indicates that 2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 302.0 Ų indicates high polarity, suggesting 2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt has 3 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt?
The CAS number of 2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt is 807261-75-2.
What is the molecular formula of 2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt?
The molecular formula of 2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt is C16H15N8O13P.
What is the molecular weight of 2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt?
The molecular weight of 2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt is 558.05 g/mol.
Where can I buy 2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt?
You can request a quote for 2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt?
Yes, KEHONG BIO provides custom synthesis services for 2',3'-O-Trinitrophenyl-adenosine-5'-monophosphate triethylammonium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.