Unii-4W8R3urs2H

Base Information

• Chemical Name: Unii-4W8R3urs2H
• CAS No.: 13291-74-2
• Deprecated CAS: 11001-13-1,3947-40-8
• Molecular Formula: C₁₈H₃₆N₄O₁₀
• Molecular Weight: 468.505
• UNII: 4W8R3URS2H
• Metabolomics Workbench ID: 51709,70943
• Nikkaji Number: J11.079E
• Wikidata: Q27260590
• Mol file: 13291-74-2.mol

Synonyms:gentamicin A;gentamicin A1 of gentamicin A;gentamicin A2 of gentamicin A;gentamicin A3 of gentamicin A;gentamicin A4 of gentamicin A

Chemical Property of Unii-4W8R3urs2H

Chemical Property:

• Vapor Pressure: 1.41E-27mmHg at 25°C
• Refractive Index: 1.641
• Boiling Point: 772.8°Cat760mmHg
• PKA: 13.21±0.70(Predicted)
• Flash Point: 421.2°C
• PSA: 248.39000
• Density: 1.54g/cm³
• LogP: -3.89980
• XLogP3: -6.4
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 468.24314336
• Heavy Atom Count: 32
• Complexity: 608

Purity/Quality:

Gentamicin A ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1C(COC(C1O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)O)N)N)N)O
• Isomeric SMILES: CN[C@H]1[C@H](CO[C@@H]([C@@H]1O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N)N)O

Technology Process of Unii-4W8R3urs2H

There total 1 articles about Unii-4W8R3urs2H 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:

gentamicin A2 (55715-66-7) + S-adenosyl-L-methionine (485-80-3,15519-60-5,60018-85-1,60018-86-2,79845-28-6) → gentamicin A (13291-74-2,55925-13-8)

Guidance literature:

With ΔgenD2 mutant of GenD2 dehydrogenase; ΔgenN mutant of GenN N-methyltransferase; ΔgenS2 mutant of GenS2 aminotransferase; L-glutamate; In aq. buffer; at 30 ℃; pH=7.5; Enzymatic reaction;

DOI:10.1016/j.chembiol.2014.12.012

Reference yield:

gentamicin A (13291-74-2,55925-13-8) + S-adenosyl-L-methionine (485-80-3,15519-60-5,60018-85-1,60018-86-2,79845-28-6) → (2R,3S,4R,5R,6S)-5-amino-6-(((1R,2S,3S,4R,6S)-4,6-diamino-3-(((2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yl)oxy)-2-hydroxycyclohexyl)oxy)-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol (36889-17-5,60618-89-5,60618-90-8,60618-92-0,60619-25-2) + 5'-deoxyadenosine (4754-39-6)

Guidance literature:

With sodium dithionite; methylcobalamin; ΔgenD1 mutant of methyltransferase GenD1; NADPH; diothiothreitol; In aq. buffer; at 30 ℃; for 12h; pH=8; Reagent/catalyst; Enzymatic reaction;

DOI:10.1016/j.chembiol.2014.12.012

upstream raw materials:

gentamicin A₂

S-adenosyl-L-methionine

Downstream raw materials:

(2R,3S,4R,5R,6S)-5-amino-6-(((1R,2S,3S,4R,6S)-4,6-diamino-3-(((2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yl)oxy)-2-hydroxycyclohexyl)oxy)-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol

5'-deoxyadenosine

Refernces