N(6)-Methyldeoxyadenosine 5'-triphosphate
TL;DR: N(6)-Methyldeoxyadenosine 5'-triphosphate (CAS 5085-65-4) is a chemical compound with molecular formula C11H18N5O12P3 and molecular weight 505.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[hydroxy-[[(2S,4R,5R)-4-hydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Also Known As: M6 Datp, N(6)-Methyldeoxyadenosine 5'-triphosphate, 3,3-Dimercapto-1-o-methylphenyl-2-propen-1-on, Adenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-N-methyl-, 3'-Deoxy-N-methyladenosine 5'-(tetrahydrogen triphosphate)
| Molecular Formula | C11H18N5O12P3 |
|---|---|
| Molecular Weight | 505.02 g/mol |
| LogP | -0.1403 |
| Topological Polar Surface Area | 244.91 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 505.01648 |
| Heavy Atoms | 31 |
| Complexity | 1089.3151 |
Chemical Identifiers
| CAS Number | 5085-65-4 |
|---|---|
| SMILES | CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
Product Overview
N(6)-Methyldeoxyadenosine 5'-triphosphate (CAS 5085-65-4), with molecular formula C11H18N5O12P3 and molecular weight 505.02 g/mol. IUPAC: [hydroxy-[[(2S,4R,5R)-4-hydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of N(6)-Methyldeoxyadenosine 5'-triphosphate
Property Insights of N(6)-Methyldeoxyadenosine 5'-triphosphate
The XLogP value of -0.1403 indicates that N(6)-Methyldeoxyadenosine 5'-triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 244.91 Ų indicates high polarity, suggesting N(6)-Methyldeoxyadenosine 5'-triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(6)-Methyldeoxyadenosine 5'-triphosphate has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N(6)-Methyldeoxyadenosine 5'-triphosphate?
The CAS number of N(6)-Methyldeoxyadenosine 5'-triphosphate is 5085-65-4.
What is the molecular formula of N(6)-Methyldeoxyadenosine 5'-triphosphate?
The molecular formula of N(6)-Methyldeoxyadenosine 5'-triphosphate is C11H18N5O12P3.
What is the molecular weight of N(6)-Methyldeoxyadenosine 5'-triphosphate?
The molecular weight of N(6)-Methyldeoxyadenosine 5'-triphosphate is 505.02 g/mol.
Where can I buy N(6)-Methyldeoxyadenosine 5'-triphosphate?
You can request a quote for N(6)-Methyldeoxyadenosine 5'-triphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(6)-Methyldeoxyadenosine 5'-triphosphate?
Yes, KEHONG BIO provides custom synthesis services for N(6)-Methyldeoxyadenosine 5'-triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.