(4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-oxononanoic acid

Base Information

• Chemical Name: (4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-oxononanoic acid
• CAS No.: 22594-61-2
• Molecular Formula: C₉H₁₆O₉
• Molecular Weight: 268.221
• Hs Code.: 2918992090
• UNII: 9672K4U8IW
• DSSTox Substance ID: DTXSID201247051
• Nikkaji Number: J432.763B
• Mol file: 22594-61-2.mol

Synonyms:2-KDN;2-keto-3-deoxy-D-glycero-D-galacto-nononic acid;2-oxo-3-deoxy-D-glycero-galactononulosonic acid;3-deoxy-D-glycero-D-galacto-2-nonulosonic acid;3-deoxyglycero-galacto-nonulosonic acid;3-deoxyglycerogalacto-2-nonulopyranosonic acid;deoxy-KDN;sialosonic acid;siaX

Chemical Property of (4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-oxononanoic acid

Chemical Property:

• Vapor Pressure: 4.59E-16mmHg at 25°C
• Boiling Point: 583.9°C at 760 mmHg
• Flash Point: 321°C
• PSA: 175.75000
• Density: 1.184g/cm³
• LogP: -4.17300
• XLogP3: -4.2
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 268.07943208
• Heavy Atom Count: 18
• Complexity: 292

Purity/Quality:

98% ^*data from raw suppliers

KDN ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-oxononanoic acid

There total 1 articles about (4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-oxononanoic 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:

4-[2-Oxo-5-((1S,2R,3S,4R)-1,2,3,4,5-pentaacetoxy-pentyl)-2,5-dihydro-furan-3-ylamino]-benzoic acid methyl ester (19204-85-4) → (5S,6R,7S,8R)-4,5,6,7,8,9-Hexahydroxy-2-oxo-nonanoic acid (19186-65-3,19186-66-4,22594-61-2,74984-74-0,145985-10-0)

Guidance literature:

With hydrogenchloride; In methanol;

DOI:10.1016/S0008-6215(00)81111-8

upstream raw materials:

4-[2-Oxo-5-((1S,2R,3S,4R)-1,2,3,4,5-pentaacetoxy-pentyl)-2,5-dihydro-furan-3-ylamino]-benzoic acid methyl ester

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