Flavin adenine dinucleotide disodium salt hydrate - ≥95% , CAS No.1891059-93-0

CAS: 1891059-93-0 Cat. No.: F100614 Molecular Weight: 829.51 (anhydrous basis) PubChem CID: 16219365

GRADE & PURITY ≥95%

Synonyms

FAD-Na2 | 1891059-93-0 | Flavin adenine dinucleotide disodium salt hydrate, >=95% (HPLC), powder | Flavin adenine dinucleotide disodium salt hydrate, >=90% (HPLC) | Flavin adenine dinucleotide disodium salt hydrate, suitable for cell culture, BioReagent |

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Solubility in water: 5 g/l

Flavin adenine dinucleotide (FAD) is used as a redox cofactor (electron carrier) by flavoproteins including succinate dehydrogenase (complex), α-ketoglutarate dehydrogenase, apoptosis-inducing factor 2 (AIF-M2, AMID), folate/FAD-dependent tRNA methyltransferases, and N-hydroxylating flavoprotein monooxygenases. FAD is a component of the pyruvate dehydrogenase complex.

Specifications

Synonyms

FAD-Na2 | 1891059-93-0 | Flavin adenine dinucleotide disodium salt hydrate, >=95% (HPLC), powder | Flavin adenine dinucleotide disodium salt hydrate, >=90% (HPLC) | Flavin adenine dinucleotide disodium salt hydrate, suitable for cell culture, BioReagent |

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Flavin adenine dinucleotide (FAD) is used as a redox cofactor (electron carrier) by flavoproteins including succinate dehydrogenase (complex), α-ketoglutarate dehydrogenase, apoptosis-inducing factor 2 (AIF-M2, AMID), folate/FAD-dependent tRNA methyltrans

Storage

Protected from light, 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%

Names and Identifiers

• Canonical Smiles: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)([O-])OP(=O)([O-])OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O.O.[Na+].[Na+]
• IUPAC Name: disodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] phosphate;hydrate
• InChIKey: GXTPHHZYFMAGLX-UJXBNFGUSA-L
• INCHI: 1S/C27H33N9O15P2.2Na.H2O/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36;;;/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43);;;1H2/q;2*+1;/p-2/t14-,15+,16+,19-,20+,21+,26+;;;/m0.../s1
• Isomeric SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O.O.[Na+].[Na+]
• PubChem CID: 16219365
• Molecular Weight: 829.51 (anhydrous basis)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Flavin nucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Flavin nucleotides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavin nucleotides
• Alternative Parents: (3'->5')-dinucleotides Purine ribonucleoside diphosphates Purine ribonucleoside monophosphates Flavins Pentose phosphates Glycosylamines 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Quinoxalines Aminopyrimidines and derivatives Pyrimidones Pyrazines Benzenoids Imidolactams N-substituted imidazoles Alkyl phosphates Vinylogous amides Heteroaromatic compounds Tetrahydrofurans Lactams Secondary alcohols Polyols Oxacyclic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavin nucleotide - (3'->5')-dinucleotide - (3'->5')-dinucleotide or analogue - Purine ribonucleoside diphosphate - Purine ribonucleoside monophosphate - Flavin - Isoalloxazine - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Diazanaphthalene - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Pteridine - Quinoxaline - Imidazopyrimidine - Purine - Aminopyrimidine - Pyrimidone - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Alkyl phosphate - Benzenoid - Imidolactam - Phosphoric acid ester - Pyrazine - Pyrimidine - Vinylogous amide - Tetrahydrofuran - Imidazole - Heteroaromatic compound - Azole - Lactam - Secondary alcohol - Polyol - Organic alkali metal salt - Organoheterocyclic compound - Oxacycle - Azacycle - Primary amine - Alcohol - Amine - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organic sodium salt - Organic salt - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as flavin nucleotides. These are nucleotides containing a flavin moiety. Flavin is a compound that contains the tricyclic isoalloxazine ring system, which bears 2 oxo groups at the 2- and 4-positions.
• 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

• Solubility: Soluble in water (50 mg/ml).
• Sensitivity: Light sensitive;Moisture sensitive;Heat sensitive
• Molecular Weight: 847.500 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 13
• Exact Mass: 847.132 Da
• Monoisotopic Mass: 847.132 Da
• Topological Polar Surface Area: 363.000 Ų
• Heavy Atom Count: 56
• Formal Charge: 0
• Complexity: 1550.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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: 4

XLogP3

References

1. Jianfeng Zhang, Wenrong Bing, Tiancheng Hu, Xu Zhou, Jiejing Zhang, Jing Liang, Yongguang Li.  (2023)  Enhanced biodegradation of phenol by microbial collaboration: Resistance, metabolite utilization, and pH stabilization.  ENVIRONMENTAL RESEARCH,      [PMID:37776942] [10.1016/j.envres.2023.117269]

2. Lijun Geng, Xudong Yu, Yajuan Li, Yanqiu Wang, Yongquan Wu, Jujie Ren, Fengfeng Xue, Tao Yi.  (2019)  Instant hydrogel formation of terpyridine-based complexes triggered by DNA via non-covalent interaction.  Nanoscale,  11  (9): (4044-4052).  [PMID:30768104] [10.1039/C8NR08532C]

3. Yang Tang, Zheng Wang, Feng Zhou, Ling Li, Chen Sun, Linhui Li, Fei Tang, Dongqin Huang, Zewei Li, Yang Tan, Gang Pei.  (2025)  Benzoylpaeoniflorin alleviates ulcerative colitis by inhibiting ferroptosis through targeting phosphogluconic dehydrogenase.  PHYTOMEDICINE,      [PMID:40829505] [10.1016/j.phymed.2025.157111]