2-Deoxy-2-((3R)-3-hydroxy-tetradecanamido)-3-O-(3-hydroxytetradecanyl)-4-O-phosphonoglucopyranose

Base Information

• Chemical Name: 2-Deoxy-2-((3R)-3-hydroxy-tetradecanamido)-3-O-(3-hydroxytetradecanyl)-4-O-phosphonoglucopyranose
• CAS No.: 139623-12-4
• Molecular Formula: C34H68 N O11 P
• Molecular Weight: 697.88
• DSSTox Substance ID: DTXSID30930523
• Wikidata: Q82905915

Synonyms:2-deoxy-2-((3R)-3-hydroxy-tetradecanamido)-3-O-(3-hydroxytetradecanyl)-4-O-phosphonoglucopyranose;3-HTD-phosphonoglu

Chemical Property of 2-Deoxy-2-((3R)-3-hydroxy-tetradecanamido)-3-O-(3-hydroxytetradecanyl)-4-O-phosphonoglucopyranose

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 1.77±0.10(Predicted)
• Flash Point: °C
• Density: 1.13g/cm³
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 34
• Exact Mass: 697.45299898
• Heavy Atom Count: 47
• Complexity: 800

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCC(CCOC(C(C=O)NC(=O)CC(CCCCCCCCCCC)O)C(C(CO)O)OP(=O)(O)O)O
• Isomeric SMILES: CCCCCCCCCCC[C@H](CCO[C@H]([C@H](C=O)NC(=O)C[C@@H](CCCCCCCCCCC)O)[C@@H]([C@@H](CO)O)OP(=O)(O)O)O

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