(S-dinitrophenyl)-6-mercaptopurine riboside triphosphate
TL;DR: (S-dinitrophenyl)-6-mercaptopurine riboside triphosphate (CAS 5461-61-0) is a chemical compound with molecular formula C16H17N6O17P3S and molecular weight 689.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-(2,4-dinitrophenyl)sulfanylpurin-6-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
Also Known As: DMRT, Diazene,(2,4-dinitrophenyl)phenyl, (S-Dinitrophenyl)-6-mercaptopurine riboside triphosphate, [9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-(2,4-dinitrophenyl)sulfanylpurin-6-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate, 9-(5-deoxy-
| Molecular Formula | C16H17N6O17P3S |
|---|---|
| Molecular Weight | 689.96 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 370.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 9 |
| Exact Mass | 689.9584 |
| Heavy Atoms | 43 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 5461-61-0 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3OP(=O)(O)OP(=O)(O)OP(=O)(O)O)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])O)O |
| InChIKey | ABUGVBRDFWGJRD-CHOYNLESSA-N |
Product Overview
(S-dinitrophenyl)-6-mercaptopurine riboside triphosphate (CAS 5461-61-0), with molecular formula C16H17N6O17P3S and molecular weight 689.96 g/mol. IUPAC: [9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-(2,4-dinitrophenyl)sulfanylpurin-6-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate.
Chemical Property Profile of (S-dinitrophenyl)-6-mercaptopurine riboside triphosphate
Property Insights of (S-dinitrophenyl)-6-mercaptopurine riboside triphosphate
The XLogP value of -2.5 indicates that (S-dinitrophenyl)-6-mercaptopurine riboside triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 370.0 Ų indicates high polarity, suggesting (S-dinitrophenyl)-6-mercaptopurine riboside triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S-dinitrophenyl)-6-mercaptopurine riboside triphosphate has 6 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S-dinitrophenyl)-6-mercaptopurine riboside triphosphate?
The CAS number of (S-dinitrophenyl)-6-mercaptopurine riboside triphosphate is 5461-61-0.
What is the molecular formula of (S-dinitrophenyl)-6-mercaptopurine riboside triphosphate?
The molecular formula of (S-dinitrophenyl)-6-mercaptopurine riboside triphosphate is C16H17N6O17P3S.
What is the molecular weight of (S-dinitrophenyl)-6-mercaptopurine riboside triphosphate?
The molecular weight of (S-dinitrophenyl)-6-mercaptopurine riboside triphosphate is 689.96 g/mol.
Where can I buy (S-dinitrophenyl)-6-mercaptopurine riboside triphosphate?
You can request a quote for (S-dinitrophenyl)-6-mercaptopurine riboside triphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S-dinitrophenyl)-6-mercaptopurine riboside triphosphate?
Yes, KEHONG BIO provides custom synthesis services for (S-dinitrophenyl)-6-mercaptopurine riboside triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.