carboxy (2R,4aR,6R,7R,8R,8aR)-6-[(2S,3R,4S,5R,6R)-5,6-dihydroxy-2,4-dimethyloxan-3-yl]oxy-7-hydroxy-2-methyl-8-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylate

Base Information

• Chemical Name: carboxy (2R,4aR,6R,7R,8R,8aR)-6-[(2S,3R,4S,5R,6R)-5,6-dihydroxy-2,4-dimethyloxan-3-yl]oxy-7-hydroxy-2-methyl-8-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylate
• CAS No.: 128531-82-8
• Molecular Formula: C23H36O18
• Molecular Weight: 600.5211
• DSSTox Substance ID: DTXSID20155920
• Wikidata: Q83023911
• Mol file: 128531-82-8.mol

Synonyms:EPS I, Pseudomonas;EPS I, Ralstonia;epsi exopolysaccharide, Ralstonia;exopolysaccharide, Pseudomonas;exopolysaccharide, Pseudomonas aeruginosa;exopolysaccharide, Pseudomonas marginalis;PMEP;Pseudomonas aeruginosa exopolysaccharide;Pseudomonas marginalis exopolysaccharide

Chemical Property of carboxy (2R,4aR,6R,7R,8R,8aR)-6-[(2S,3R,4S,5R,6R)-5,6-dihydroxy-2,4-dimethyloxan-3-yl]oxy-7-hydroxy-2-methyl-8-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylate

Chemical Property:

• Vapor Pressure: 1.07E-33mmHg at 25°C
• Boiling Point: 851°Cat760mmHg
• Flash Point: 282.3°C
• PSA: 269.82000
• Density: 1.66g/cm³
• LogP: -4.27060
• XLogP3: -3.5
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 8
• Exact Mass: 600.19016430
• Heavy Atom Count: 41
• Complexity: 936

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(OC(C1OC2C(C(C3C(O2)COC(O3)(C)C(=O)OC(=O)O)OC4C(C(C(C(O4)CO)O)O)O)O)C)O)O
• Isomeric SMILES: C[C@H]1[C@H]([C@@H](O[C@H]([C@@H]1O[C@H]2[C@@H]([C@H]([C@H]3[C@H](O2)CO[C@@](O3)(C)C(=O)OC(=O)O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C)O)O