Einecs 264-884-1
TL;DR: Einecs 264-884-1 (CAS 64417-72-7) is a chemical compound with molecular formula C21H26LiN7O14P2 and molecular weight 669.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
lithium (2R,3S,4R,5R)-2-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-5-(3-carbamoylpyridin-1-ium-1-yl)oxolane-3,4-diolate
Also Known As: EINECS 264-884-1, nicotinamide adenine dinucleotide, beta-Nicotinamide adenine dinucleotide lithium salt, lithium;(2R,3S,4R,5R)-2-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-5-(3-carbamoylpyridin-1-ium-1-yl)oxolane-3,4-diolate, Adenosine 5'-(trihydrogen diphosphate), 5',5' ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt, monolithium salt
| Molecular Formula | C21H26LiN7O14P2 |
|---|---|
| Molecular Weight | 669.12 g/mol |
| LogP | -7.2759 |
| Topological Polar Surface Area | 323.92 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 669.1173 |
| Heavy Atoms | 45 |
| Complexity | 1635.5385 |
Chemical Identifiers
| CAS Number | 64417-72-7 |
|---|---|
| SMILES | [Li+].C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)[O-])[O-])C(=O)N |
Product Overview
Einecs 264-884-1 (CAS 64417-72-7), with molecular formula C21H26LiN7O14P2 and molecular weight 669.12 g/mol. IUPAC: lithium (2R,3S,4R,5R)-2-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-5-(3-carbamoylpyridin-1-ium-1-yl)oxolane-3,4-diolate.
Chemical Property Profile of Einecs 264-884-1
Property Insights of Einecs 264-884-1
The XLogP value of -7.2759 indicates that Einecs 264-884-1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 323.92 Ų indicates high polarity, suggesting Einecs 264-884-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 264-884-1 has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 264-884-1?
The CAS number of Einecs 264-884-1 is 64417-72-7.
What is the molecular formula of Einecs 264-884-1?
The molecular formula of Einecs 264-884-1 is C21H26LiN7O14P2.
What is the molecular weight of Einecs 264-884-1?
The molecular weight of Einecs 264-884-1 is 669.12 g/mol.
Where can I buy Einecs 264-884-1?
You can request a quote for Einecs 264-884-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 264-884-1?
Yes, KEHONG BIO provides custom synthesis services for Einecs 264-884-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.