3-Deoxy-2-octulosonate-4-phosphate

Base Information

• Chemical Name: 3-Deoxy-2-octulosonate-4-phosphate
• CAS No.: 143651-48-3
• Molecular Formula: C8H15 O11 P
• Molecular Weight: 318.171861
• DSSTox Substance ID: DTXSID90162484
• Wikidata: Q27140077
• Metabolomics Workbench ID: 66064
• Mol file: 143651-48-3.mol

Synonyms:3-deoxy-2-octulosonate-4-phosphate;3-deoxy-D-manno-2-octulosonate-4-phosphate;Kdo-4-phosphate

Chemical Property of 3-Deoxy-2-octulosonate-4-phosphate

Chemical Property:

• Vapor Pressure: 1.44E-24mmHg at 25°C
• Boiling Point: 729.5°Cat760mmHg
• Flash Point: 395°C
• PSA: 211.86000
• Density: 1.878g/cm³
• 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:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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