3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid

Base Information

• Chemical Name: 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid
• CAS No.: 61302-28-1
• Molecular Formula: C₈H₁₅O₁₁P
• Molecular Weight: 318.174
• DSSTox Substance ID: DTXSID601344827
• Metabolomics Workbench ID: 51145
• Nikkaji Number: J90.143A
• Wikidata: Q27102801
• Mol file: 61302-28-1.mol

Synonyms:3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid;3-deoxy-D-manno-octulosonate 8-phosphate;8-phospho-3-deoxy-D-manno-oct-2-ulosonic acid;61302-28-1;2-dehydro-3-deoxy-D-octonate 8-phosphate;(4R,5R,6R,7R)-4,5,6,7-tetrahydroxy-2-oxo-8-phosphonooxyoctanoic acid;KD0;SCHEMBL1972777;CHEBI:18069;DTXSID601344827;3-deoxy-d-manno-octulosonic acid 8-phosphate;C04478;Q27102801;(4R,5R,6R,7R)-4,5,6,7-tetrahydroxy-2-oxo-8-(phosphonooxy)octanoic acid

Chemical Property of 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid

Chemical Property:

• PSA: 211.86000
• LogP: -3.41690
• XLogP3: -4.6
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 318.03519829
• Heavy Atom Count: 20
• Complexity: 390

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C(C(C(C(COP(=O)(O)O)O)O)O)O)C(=O)C(=O)O
• Isomeric SMILES: C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)C(=O)C(=O)O

Technology Process of 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid

There total 3 articles about 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid 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:

D-arabinose-5-phosphate (13137-52-5) → 2-keto-3-deoxy-D-manno-octulosonate 8-phosphate (61302-28-1)

Guidance literature:

With enzyme from pseudomonas aeruginosa;

Reference yield:

Oxalacetic acid (328-42-7) → 2-keto-3-deoxy-D-manno-octulosonate 8-phosphate (61302-28-1)

Guidance literature:

With sodium hydroxide; Hydrieren des erhaltenen Gemisches von O⁵-Benzyl-O⁸-phosphono-D-manno- und -D-gluco-3-desoxy-<2>octulosonsaeure an Palladium/Kohle in einer wss. Loesung von Chloressigsaeure;

Reference yield:

→ 2-keto-3-deoxy-D-manno-octulosonate 8-phosphate (61302-28-1)

Guidance literature:

Phosphate (III/IV-bem.), Pd/C (5percent), katalyt. Hydr., pH: 3;

upstream raw materials:

D-arabinose-5-phosphate

Oxalacetic acid