5-Methylnicotinamide-adenine dinucleotide
TL;DR: 5-Methylnicotinamide-adenine dinucleotide (CAS 56541-76-5) is a chemical compound with molecular formula C22H29N7O14P2 and molecular weight 677.12 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-carbamoyl-5-methylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
Also Known As: 5-Methyl-NAD, 5-Methylnicotinamide-adenine dinucleotide, (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-carbamoyl-5-methylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate, Adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 3-(aminocarbonyl)-5-methyl-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt, (2R,3R,4S,5R)-5-({[{[{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2-(3-carbamoyl-5-methylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
| Molecular Formula | C22H29N7O14P2 |
|---|---|
| Molecular Weight | 677.12 g/mol |
| LogP | -3.33948 |
| Topological Polar Surface Area | 321.09 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 677.12476 |
| Heavy Atoms | 45 |
| Complexity | 1677.9578 |
Chemical Identifiers
| CAS Number | 56541-76-5 |
|---|---|
| SMILES | CC1=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
5-Methylnicotinamide-adenine dinucleotide (CAS 56541-76-5), with molecular formula C22H29N7O14P2 and molecular weight 677.12 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-carbamoyl-5-methylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate.
Chemical Property Profile of 5-Methylnicotinamide-adenine dinucleotide
Property Insights of 5-Methylnicotinamide-adenine dinucleotide
The XLogP value of -3.33948 indicates that 5-Methylnicotinamide-adenine dinucleotide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 321.09 Ų indicates high polarity, suggesting 5-Methylnicotinamide-adenine dinucleotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Methylnicotinamide-adenine dinucleotide has 7 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 5-Methylnicotinamide-adenine dinucleotide?
The CAS number of 5-Methylnicotinamide-adenine dinucleotide is 56541-76-5.
What is the molecular formula of 5-Methylnicotinamide-adenine dinucleotide?
The molecular formula of 5-Methylnicotinamide-adenine dinucleotide is C22H29N7O14P2.
What is the molecular weight of 5-Methylnicotinamide-adenine dinucleotide?
The molecular weight of 5-Methylnicotinamide-adenine dinucleotide is 677.12 g/mol.
Where can I buy 5-Methylnicotinamide-adenine dinucleotide?
You can request a quote for 5-Methylnicotinamide-adenine dinucleotide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylnicotinamide-adenine dinucleotide?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylnicotinamide-adenine dinucleotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.