2'-Deoxynicotinamide adenine dinucleotide
TL;DR: 2'-Deoxynicotinamide adenine dinucleotide (CAS 77566-20-2) is a chemical compound with molecular formula C21H27N7O13P2 and molecular weight 647.11 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,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
Also Known As: 2'-Deoxy NAD, 2'-Dnad, 2'-Deoxynicotinamide adenine dinucleotide, KST-1A8185, (2R,3R,4S,5R)-5-[[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
| Molecular Formula | C21H27N7O13P2 |
|---|---|
| Molecular Weight | 647.11 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 301.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 11 |
| Exact Mass | 647.1142 |
| Heavy Atoms | 43 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 77566-20-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)[N+]5=CC=CC(=C5)C(=O)N)[O-])O)O |
| InChIKey | RXYYOFBFVPRKQV-HJKWLTBHSA-N |
Product Overview
2'-Deoxynicotinamide adenine dinucleotide (CAS 77566-20-2), with molecular formula C21H27N7O13P2 and molecular weight 647.11 g/mol. IUPAC: (2R,3R,4S,5R)-5-[[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate.
Chemical Property Profile of 2'-Deoxynicotinamide adenine dinucleotide
Property Insights of 2'-Deoxynicotinamide adenine dinucleotide
The XLogP value of -3.9 indicates that 2'-Deoxynicotinamide adenine dinucleotide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 301.0 Ų indicates high polarity, suggesting 2'-Deoxynicotinamide adenine dinucleotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Deoxynicotinamide adenine dinucleotide has 6 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2'-Deoxynicotinamide adenine dinucleotide?
The CAS number of 2'-Deoxynicotinamide adenine dinucleotide is 77566-20-2.
What is the molecular formula of 2'-Deoxynicotinamide adenine dinucleotide?
The molecular formula of 2'-Deoxynicotinamide adenine dinucleotide is C21H27N7O13P2.
What is the molecular weight of 2'-Deoxynicotinamide adenine dinucleotide?
The molecular weight of 2'-Deoxynicotinamide adenine dinucleotide is 647.11 g/mol.
Where can I buy 2'-Deoxynicotinamide adenine dinucleotide?
You can request a quote for 2'-Deoxynicotinamide adenine dinucleotide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxynicotinamide adenine dinucleotide?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxynicotinamide adenine dinucleotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.