Kanamycin 3'-phosphate

Base Information

• Chemical Name: Kanamycin 3'-phosphate
• CAS No.: 17029-36-6
• Molecular Formula: C₁₈H₃₇N₄O₁₄P
• Molecular Weight: 564.484
• DSSTox Substance ID: DTXSID20425877
• Nikkaji Number: J2.741.520B
• Wikidata: Q27102097
• Metabolomics Workbench ID: 50663
• Mol file: 17029-36-6.mol

Synonyms:Kanamycin 3'-phosphate;kanamycin A 3'-phosphate;17029-36-6;[(2R,3R,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-4-yl] dihydrogen phosphate;(1S,2R,3R,4S,6R)-4,6-diamino-3-(6-amino-6-deoxy-3-O-phosphono-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside;CHEBI:16823;DTXSID20425877;C03281;Q27102097

Chemical Property of Kanamycin 3'-phosphate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: -10.3
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 8
• Exact Mass: 564.20438886
• Heavy Atom Count: 37
• Complexity: 798

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)OP(=O)(O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N
• Isomeric SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)OP(=O)(O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N

Technology Process of Kanamycin 3'-phosphate

There total 2 articles about Kanamycin 3'-phosphate 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: 44.0%

kanamycin A (59-01-8) → kanamycin A 3'-phosphate (17029-36-6)

Guidance literature:

With Tmed buffer; magnesium acetate; In water; for 12h; aminoglycoside phosphotransferase;

Reference yield:

kanamycin A (59-01-8) + 2'-deoxyuridine-5'-triphosphate (1173-82-6,94234-60-3) → kanamycin A 3'-phosphate (17029-36-6)

Guidance literature:

With phosphoenolpyruvic acid; pyruvate kinase–lactate dehydrogenase; recombinant aminoglycoside 3'-O-phosphotransferase of type IIa; potassium chloride; NADH; magnesium chloride; In aq. phosphate buffer; at 37 ℃; Reagent/catalyst; Enzymatic reaction;

DOI:10.1039/c8md00234g

upstream raw materials:

kanamycin A

2'-deoxyuridine-5'-triphosphate