NAD dimers
TL;DR: NAD dimers (CAS 66844-06-2) is a chemical compound with molecular formula C42H54N14O28P4 and molecular weight 1326.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
Also Known As: NAD Dimers, Nicotinamide adenine dinucleotide dimers, (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate, Adenosine 5'-(trihydrogen-diphosphate), 5'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt, dimer, RefChem:164387
| Molecular Formula | C42H54N14O28P4 |
|---|---|
| Molecular Weight | 1326.22 g/mol |
| LogP | -7.2958 |
| Topological Polar Surface Area | 642.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 36 |
| Rotatable Bonds | 22 |
| Exact Mass | 1326.2183 |
| Heavy Atoms | 88 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 66844-06-2 |
|---|---|
| SMILES | 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.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 |
| InChIKey | BJLZXPGIQWRIKI-JJVDBIKMSA-N |
Product Overview
NAD dimers (CAS 66844-06-2), with molecular formula C42H54N14O28P4 and molecular weight 1326.22 g/mol. IUPAC: (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate.
Chemical Property Profile of NAD dimers
Property Insights of NAD dimers
The XLogP value of -7.2958 indicates that NAD dimers is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 642.0 Ų indicates high polarity, suggesting NAD dimers may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NAD dimers has 14 hydrogen bond donor(s) and 36 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NAD dimers?
The CAS number of NAD dimers is 66844-06-2.
What is the molecular formula of NAD dimers?
The molecular formula of NAD dimers is C42H54N14O28P4.
What is the molecular weight of NAD dimers?
The molecular weight of NAD dimers is 1326.22 g/mol.
Where can I buy NAD dimers?
You can request a quote for NAD dimers directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NAD dimers?
Yes, KEHONG BIO provides custom synthesis services for NAD dimers and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.