[3-[(2R,3R,4R,5R,6R)-3-acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] dihydrogen phosphate

Base Information

• Chemical Name: [3-[(2R,3R,4R,5R,6R)-3-acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] dihydrogen phosphate
• CAS No.: 119903-55-8
• Molecular Formula: C27H48 N3 O21 P
• Molecular Weight: 781.65
• DSSTox Substance ID: DTXSID20923141
• Mol file: 119903-55-8.mol

Synonyms:capsular polysaccharide type 6, Actinobacillus pleuropneumoniae;CP 6-AP

Chemical Property of [3-[(2R,3R,4R,5R,6R)-3-acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] dihydrogen phosphate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.64g/cm³
• XLogP3: -7.6
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 16
• Exact Mass: 781.25179255
• Heavy Atom Count: 52
• Complexity: 1230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1C(C(C(OC1OC2C(C(OC(C2O)CO)OCC(COP(=O)(O)O)OC3C(C(C(C(O3)CO)O)O)NC(=O)C)NC(=O)C)CO)O)O
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O)CO)OCC(COP(=O)(O)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)NC(=O)C)CO)O)O