![Spiro(2,4,6-trinitrobenzene[1,2A]-2O',3O'-methylene-adenine-triphosphate structure](/static/products/120/120360-48-7.webp)
Spiro(2,4,6-trinitrobenzene[1,2A]-2O',3O'-methylene-adenine-triphosphate
TL;DR: Spiro(2,4,6-trinitrobenzene[1,2A]-2O',3O'-methylene-adenine-triphosphate (CAS 120360-48-7) is a chemical compound with molecular formula C16H17N8O19P3 and molecular weight 717.9823 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-N-hydroxy-6-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3',5'-dinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,4'-cyclohexa-2,5-diene]-1'-imine oxide
Also Known As: SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE, (3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-N-hydroxy-6-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3',5'-dinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,4'-cyclohexa-2,5-diene]-1'-imine oxide, 2',3'-O-{(1R)-4-[hydroxy(oxo)-lambda~5~-azanylidene]-2,6-dinitrocyclohexa-2,5-diene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate), 2',3'-O-{4-[Hydroxy(oxido)-lambda5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate)
Technical Specifications
| Molecular Formula | C16H17N8O19P3 |
| Molecular Weight | 717.9823 g/mol |
| XLogP | -5.7 |
| Topological Polar Surface Area (TPSA) | 398.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 8 |
| Exact Mass | 717.9823 Da |
| Heavy Atoms | 46 |
| Complexity | 1490.0 |
| 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 | XFMMHXLUHKBKQE-UHEGPQQHSA-N |
Chemical Property Profile of Spiro(2,4,6-trinitrobenzene[1,2A]-2O',3O'-methylene-adenine-triphosphate
Property Insights of Spiro(2,4,6-trinitrobenzene[1,2A]-2O',3O'-methylene-adenine-triphosphate
The XLogP value of -5.7 indicates that Spiro(2,4,6-trinitrobenzene[1,2A]-2O',3O'-methylene-adenine-triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 398.0 Ų indicates high polarity, suggesting Spiro(2,4,6-trinitrobenzene[1,2A]-2O',3O'-methylene-adenine-triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spiro(2,4,6-trinitrobenzene[1,2A]-2O',3O'-methylene-adenine-triphosphate has 6 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Spiro(2,4,6-trinitrobenzene[1,2A]-2O',3O'-methylene-adenine-triphosphate?
The CAS number of Spiro(2,4,6-trinitrobenzene[1,2A]-2O',3O'-methylene-adenine-triphosphate is 120360-48-7.
What is the molecular formula of Spiro(2,4,6-trinitrobenzene[1,2A]-2O',3O'-methylene-adenine-triphosphate?
The molecular formula of Spiro(2,4,6-trinitrobenzene[1,2A]-2O',3O'-methylene-adenine-triphosphate is C16H17N8O19P3.
What is the molecular weight of Spiro(2,4,6-trinitrobenzene[1,2A]-2O',3O'-methylene-adenine-triphosphate?
The molecular weight of Spiro(2,4,6-trinitrobenzene[1,2A]-2O',3O'-methylene-adenine-triphosphate is 717.9823 g/mol.
Where can I buy Spiro(2,4,6-trinitrobenzene[1,2A]-2O',3O'-methylene-adenine-triphosphate?
You can request a quote for Spiro(2,4,6-trinitrobenzene[1,2A]-2O',3O'-methylene-adenine-triphosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Spiro(2,4,6-trinitrobenzene[1,2A]-2O',3O'-methylene-adenine-triphosphate?
Yes, CoreyChem provides custom synthesis services for Spiro(2,4,6-trinitrobenzene[1,2A]-2O',3O'-methylene-adenine-triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.