Einecs 210-122-8
TL;DR: Einecs 210-122-8 (CAS 6639-40-3) is a chemical compound with molecular formula C20H28N10Na4O26P6 and molecular weight 1101.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolane-3,4-diolate)
Also Known As: 2-Nitrodibenzothiophene, Adenosine triphosphate tetrasodium, Nicotinamide-benzimidazole dinucleotide, Adenosine 5'-(tetrahydrogen triphosphate), tetrasodium salt, sodium(2r,3r,4r,5r)-2-(6-amino-9h-purin-9-yl)-5-{[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]methyl}tetrahydrofuran-3,4-diolate(2:1)(non-preferred name)
| Molecular Formula | C20H28N10Na4O26P6 |
|---|---|
| Molecular Weight | 1101.92 g/mol |
| LogP | -17.77 |
| Topological Polar Surface Area | 570.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 34 |
| Rotatable Bonds | 16 |
| Exact Mass | 1101.9193 |
| Heavy Atoms | 66 |
| Complexity | 800.0 |
Chemical Identifiers
| CAS Number | 6639-40-3 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[O-])[O-])N.C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[O-])[O-])N.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | FQOAMHCKIBNRNJ-DFFALZMWSA-N |
Product Overview
Einecs 210-122-8 (CAS 6639-40-3), with molecular formula C20H28N10Na4O26P6 and molecular weight 1101.92 g/mol. IUPAC: tetrasodium bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolane-3,4-diolate).
Chemical Property Profile of Einecs 210-122-8
Property Insights of Einecs 210-122-8
The XLogP value of -17.77 indicates that Einecs 210-122-8 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 570.0 Ų indicates high polarity, suggesting Einecs 210-122-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 210-122-8 has 10 hydrogen bond donor(s) and 34 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 210-122-8?
The CAS number of Einecs 210-122-8 is 6639-40-3.
What is the molecular formula of Einecs 210-122-8?
The molecular formula of Einecs 210-122-8 is C20H28N10Na4O26P6.
What is the molecular weight of Einecs 210-122-8?
The molecular weight of Einecs 210-122-8 is 1101.92 g/mol.
Where can I buy Einecs 210-122-8?
You can request a quote for Einecs 210-122-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 210-122-8?
Yes, KEHONG BIO provides custom synthesis services for Einecs 210-122-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.