1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[G]pteridin-1-ID-10(5H)-YL)-5-O-phosphonato-D-ribitol

Base Information

• Chemical Name: 1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[G]pteridin-1-ID-10(5H)-YL)-5-O-phosphonato-D-ribitol
• CAS No.: 5666-16-0
• Molecular Formula: C17H23 N4 O9 P
• Molecular Weight: 458.36
• Nikkaji Number: J1.888.371F
• Wikidata: Q27098350,Q27122101
• Metabolomics Workbench ID: 37624
• Mol file: 5666-16-0.mol

Synonyms:flavin mononucleotide hydroquinone;FMNH2

Chemical Property of 1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[G]pteridin-1-ID-10(5H)-YL)-5-O-phosphonato-D-ribitol

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 223.70000
• Density: 1.71g/cm³
• LogP: -1.12980
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 458.12026532
• Heavy Atom Count: 31
• Complexity: 803

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)O)O)O)O
• Isomeric SMILES: CC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O

Technology Process of 1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[G]pteridin-1-ID-10(5H)-YL)-5-O-phosphonato-D-ribitol

There total 3 articles about 1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[G]pteridin-1-ID-10(5H)-YL)-5-O-phosphonato-D-ribitol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

sodium riboflavin-5'-monophosphate (130-40-5) → flavin mononucleotide (5666-16-0)

Guidance literature:

With hydrogen; hydrogenase 1 from Escherichia coli; In aq. buffer; at 25 ℃; for 3.5h; under 750.075 Torr; pH=8; Glovebox; Sealed tube; Enzymatic reaction;

DOI:10.1002/anie.202101186

Reference yield:

Flavin mononucleotide (146-17-8,69680-01-9) → flavin mononucleotide (5666-16-0)

Guidance literature:

With phosphate buffer; hydrogen; Na2 anchored onto OAE-SEPHADEX anion exchanger; at 20 ℃; for 1.66667h;

DOI:10.1039/cc9960000207

Reference yield:

→ flavin mononucleotide (5666-16-0)

Guidance literature:

ox. Form, Beleuchten, EDTA;

DOI:10.1021/bi00700a029

upstream raw materials:

Flavin mononucleotide

sodium riboflavin-5'-monophosphate

Refernces

• 1、 Cleary, Sarah E.,Joseph Srinivasan, Shiny,Paul, Caroline E.,Ramirez, Miguel A.,Reeve, Holly A.,Vincent, Kylie A.. "E. coli Nickel-Iron Hydrogenase 1 Catalyses Non-native Reduction of Flavins: Demonstration for Alkene Hydrogenation by Old Yellow Enzyme Ene-reductases**". supporting information. p. 13824 - 13828. Retrieved 2021/05/13.
• 2、 Geddes, Alexander,Paul, Caroline E.,Hay, Sam,Hollmann, Frank,Scrutton, Nigel S.. "Donor-Acceptor Distance Sampling Enhances the Performance of "better than Nature" Nicotinamide Coenzyme Biomimetics". supporting information. p. 11089 - 11092. Retrieved 2016/10/23.