Riboflavin-5'-phosphate sodium salt dihydrate - 73-79% , CAS No.6184-17-4

CAS: 6184-17-4 Cat. No.: F107158 Molecular Weight: 514.36 PubChem CID: 23687712

GRADE & PURITY 73-79%

Synonyms

Riboflavin 5'-(Dihydrogen Phosphate) Monosodium Salt Dihydrate (>80per cent) | SORBITAN STEARATE [EP MONOGRAPH] | Riboflavin-5-phosphoric acid monosodium dihydrate | salmon calcitonin (1-32) | Sodium 4-aminosalicylate dihydrate, >=97.0% (T) | AKOS02531254

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Riboflavin 5'-(Dihydrogen Phosphate) Monosodium Salt Dihydrate (>80per cent) | SORBITAN STEARATE [EP MONOGRAPH] | Riboflavin-5-phosphoric acid monosodium dihydrate | salmon calcitonin (1-32) | Sodium 4-aminosalicylate dihydrate, >=97.0% (T) | AKOS02531254

Specifications & Purity

73-79%

Biochemical and Physiological Mechanisms

Enzyme cofactor used as a prosthetic group by oxidoreductase (one and two electron transfer) enzymes such as NADH dehydrogenase, nitric oxide synthase, and nitrilotriacetate monooxygenase. Also used as a substrate to study the specificity and kinetics of

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Names and Identifiers

• Pubchem Sid: 504769664
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769664
• Canonical Smiles: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)[O-])O)O)O.O.O.[Na+]
• IUPAC Name: sodium;[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate;dihydrate
• InChIKey: LQVGUKOCMOKKJU-QPVGXXQTSA-M
• INCHI: 1S/C17H21N4O9P.Na.2H2O/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29;;;/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29);;2*1H2/q;+1;;/p-1/t11-,12+,14-;;;/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)[O-])O)O)O.O.O.[Na+]
• PubChem CID: 23687712
• Molecular Weight: 514.36

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: Flavins Quinoxalines Pyrimidones Alkyl phosphates Benzenoids Pyrazines Heteroaromatic compounds Vinylogous amides Lactams 1,2-diols Secondary alcohols Azacyclic compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavin nucleotide - Flavin - Isoalloxazine - Pteridine - Quinoxaline - Pyrimidone - Pyrazine - Pyrimidine - Alkyl phosphate - Phosphoric acid ester - Benzenoid - Organic phosphoric acid derivative - Heteroaromatic compound - Vinylogous amide - 1,2-diol - Secondary alcohol - Lactam - Polyol - Azacycle - Organoheterocyclic compound - Organic alkali metal salt - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - 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

Associated Targets(Human)

TST Tchem Thiosulfate sulfurtransferase (1 Activities)

Discover Target: TST

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HSPD1 Tbio HSP60/HSP10 (366 Activities)

Discover Target: HSPD1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TST Tchem Thiosulfate sulfurtransferase (144 Activities)

Discover Target: TST

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

groL GroEL/GroES (1042 Activities)

Discover Target: groL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

groEL 60 kDa chaperonin (64 Activities)

Discover Target: groEL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water 50 g/L @ 20°C.
• Specific Rotation[α]: 38° (c=1.2, in 7 M HCl)
• Molecular Weight: 514.400 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 514.108 Da
• Monoisotopic Mass: 514.108 Da
• Topological Polar Surface Area: 206.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 856.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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. Xie Xing, Hao Fei, Chen Rong, Wang Jingjing, Wei Yanna, Liu Jin, Wang Haiyan, Zhang Zhenzhen, Bai Yun, Shao Guoqing, Xiong Qiyan, Feng Zhixin.  (2021)  Nicotinamide Adenine Dinucleotide-Dependent Flavin Oxidoreductase of Mycoplasma hyopneumoniae Functions as a Potential Novel Virulence Factor and Not Only as a Metabolic Enzyme.  Frontiers in Microbiology,      [PMID:34671334] [10.3389/fmicb.2021.747421]

2. Lu Tian, Wenjing Zhao, Lin Li, Yaoli Tong, Guanlin Peng, Yingqi Li.  (2016)  Multi-talented applications for cell imaging, tumor cells recognition, patterning, staining and temperature sensing by using egg white-encapsulated gold nanoclusters.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2016.08.147]

3. Hao Li, Xiaowei Xie, Yu Zhang, Xiaopeng Han, Ting Shi, Jiayin Li, Wanyu Chen, Qin Wei, Hong Pan, Shuxian Xu, Qiuyu Chen, Lifang Yin, Chao Qin.  (2025)  MOF-Engineered Platelet-Mimicking Nanocarrier-Encapsulated Cascade Enzymes for ROS Scavenging and Anti-Inflammation in Cerebral Ischemia–Reperfusion Injury.  Pharmaceutics,  17  (11): (1478).  [PMID:41304816] [10.3390/pharmaceutics17111478]