β-Nicotinamide adenine dinucleotide sodium salt（β-NAD） - ≥95%(HPLC) , CAS No.20111-18-6

CAS: 20111-18-6 Cat. No.: B132541 Molecular Weight: 685.41 EC Number: 683-623-6

GRADE & PURITY ≥95%(HPLC)

Synonyms

DPN | NAD | B1N53L892B | Nad sodium salt | NAD | -DPN (sodium salt);-NAD (sodium salt);-Nicotinamide Adenine Dinucleotide (sodium salt) | ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), P'->5'-ESTER WITH 3-(AMINOCARBONYL)-1-.BETA.-D-RIBOFURANOSYLPYRIDINIUM, INNER

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

DPN | NAD | B1N53L892B | Nad sodium salt | NAD | -DPN (sodium salt);-NAD (sodium salt);-Nicotinamide Adenine Dinucleotide (sodium salt) | ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), P'->5'-ESTER WITH 3-(AMINOCARBONYL)-1-.BETA.-D-RIBOFURANOSYLPYRIDINIUM, INNER

Specifications & Purity

≥95%(HPLC)

Biochemical and Physiological Mechanisms

Β-Nicotinamide adenine dinucleotide (NAD +) and β-reductive Nicotinamide adenine dinucleotide (NADH) form coenzyme redox pairs (NAD + : NADH) and are involved in a wide range of enzyme-catalyzed redox. In addition, in redox, NAD + NADH is an ADP-nuclease

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(HPLC)

Names and Identifiers

• Pubchem Sid: 504772294
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772294
• Canonical Smiles: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N.[Na+]
• IUPAC Name: sodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
• InChIKey: OGCURMAMSJFXSG-QYZPTAICSA-M
• INCHI: 1S/C21H27N7O14P2.Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33;/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37);/q;+1/p-1/t10-,11-,13-,14-,15-,16-,20-,21-;/m1./s1
• Isomeric 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.[Na+]
• WGK Germany: 3
• Molecular Weight: 685.41
• Reaxy-Rn: 17528988
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=17528988&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class (5'->5')-dinucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: (5'->5')-dinucleotides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: (5'->5')-dinucleotides
• Alternative Parents: Purine nucleotide sugars Purine ribonucleoside diphosphates Purine ribonucleoside monophosphates Nicotinamide nucleotides Pentose phosphates Glycosylamines Monosaccharide phosphates Organic pyrophosphates 6-aminopurines Nicotinamides Aminopyrimidines and derivatives Alkyl phosphates N-substituted imidazoles Imidolactams Pyridinium derivatives Oxolanes Heteroaromatic compounds Vinylogous amides Amino acids and derivatives Secondary alcohols 1,2-diols Primary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: (5'->5')-dinucleotide - Purine nucleotide sugar - Purine ribonucleoside diphosphate - Purine ribonucleoside monophosphate - Nicotinamide-nucleotide - Pyridine nucleotide - Pentose-5-phosphate - Pentose phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Purine - Pyridine carboxylic acid or derivatives - Nicotinamide - Aminopyrimidine - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Imidolactam - Alkyl phosphate - Pyrimidine - Pyridine - Pyridinium - Azole - Vinylogous amide - Oxolane - Imidazole - Heteroaromatic compound - Carboxamide group - Secondary alcohol - Amino acid or derivatives - Primary carboxylic acid amide - 1,2-diol - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Organic alkali metal salt - Azacycle - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Organic salt - Organic zwitterion - Alcohol - Primary amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as (5'->5')-dinucleotides. These are dinucleotides where the two bases are connected via a (5'->5')-phosphodiester linkage.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 685.400 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 11
• Exact Mass: 685.091 Da
• Monoisotopic Mass: 685.091 Da
• Topological Polar Surface Area: 324.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 1110.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Wen Yu, Xinke Kong, Chengcheng Gu, Panpan Gai, Feng Li.  (2019)  Ultrasensitive self-powered biosensors with visual self-checking function for pathogenic bacteria detection.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2019.127618]

2. Likun Luan, Yingfang Zhang, Xiuling Ji, Boxia Guo, Shaoyu Song, Yuhong Huang, Suojiang Zhang.  (2024)  Electro-Driven Multi-Enzymatic Cascade Conversion of CO2 to Ethylene Glycol in Nano-Reactor.  Advanced Science,      [PMID:39231322] [10.1002/advs.202407204]