Nitromethyldethia coenzyme A
TL;DR: Nitromethyldethia coenzyme A (CAS 157825-89-3) is a chemical compound with molecular formula C22H37N8O18P3 and molecular weight 794.14386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-[[3-(3-nitropropylamino)-3-oxopropyl]amino]-4-oxobutyl] hydrogen phosphate
Also Known As: NITROMETHYLDETHIA COENZYME A, NMX, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-[[3-(3-nitropropylamino)-3-oxopropyl]amino]-4-oxobutyl] hydrogen phosphate, (((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl)methoxy-hydroxyphosphoryl) ((3R)-3-hydroxy-2,2-dimethyl-4-((3-(3-nitropropylamino)-3-oxopropyl)amino)-4-oxobutyl) hydrogen phosphate, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-({3-[(3-nitropropyl)amino]-3-oxopropyl}amino)-4-oxobutyl dihydrogen diphosphate (non-preferred name)
Technical Specifications
| Molecular Formula | C22H37N8O18P3 |
| Molecular Weight | 794.14386 g/mol |
| XLogP | -5.9 |
| Topological Polar Surface Area (TPSA) | 392.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 19 |
| Exact Mass | 794.14386 Da |
| Heavy Atoms | 51 |
| Complexity | 1370.0 |
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCC[N+](=O)[O-])O |
| InChIKey | PUGKTLRHGHIDCJ-GORZOVPNSA-N |
Chemical Property Profile of Nitromethyldethia coenzyme A
Property Insights of Nitromethyldethia coenzyme A
The XLogP value of -5.9 indicates that Nitromethyldethia coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 392.0 Ų indicates high polarity, suggesting Nitromethyldethia coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nitromethyldethia coenzyme A has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Nitromethyldethia coenzyme A?
The CAS number of Nitromethyldethia coenzyme A is 157825-89-3.
What is the molecular formula of Nitromethyldethia coenzyme A?
The molecular formula of Nitromethyldethia coenzyme A is C22H37N8O18P3.
What is the molecular weight of Nitromethyldethia coenzyme A?
The molecular weight of Nitromethyldethia coenzyme A is 794.14386 g/mol.
Where can I buy Nitromethyldethia coenzyme A?
You can request a quote for Nitromethyldethia coenzyme A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nitromethyldethia coenzyme A?
Yes, CoreyChem provides custom synthesis services for Nitromethyldethia coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.