[(2R,3R,4R,5R)-2-[[(3R)-2,2-difluoro-3-hydroxytetradecanoyl]amino]-5,6-dihydroxy-1-oxo-4-phosphonooxyhexan-3-yl] (3R)-3-tetradecanoyloxytetradecanoate

Base Information

• Chemical Name: [(2R,3R,4R,5R)-2-[[(3R)-2,2-difluoro-3-hydroxytetradecanoyl]amino]-5,6-dihydroxy-1-oxo-4-phosphonooxyhexan-3-yl] (3R)-3-tetradecanoyloxytetradecanoate
• CAS No.: 132760-29-3
• Molecular Formula: C48H90 F2 N O13 P
• Molecular Weight: 958.2
• DSSTox Substance ID: DTXSID40927808
• Wikidata: Q82902490
• Mol file: 132760-29-3.mol

Synonyms:2-deoxy-2-((2,2-difluoro-3-hydroxytetradecanoyl)amino)-3-O-(3-(tetradecanoyloxy)tetradecanoyl)glucopyranose 4-phosphate;2-deoxy-2-((2,2-difluoro-3-hydroxytetradecanoyl)amino)-3-O-(3-(tetradecanoyloxy)tetradecanoyl)glucopyranose 4-phosphate, 2(S), 3(R)-isomer;2-DTTTG

Chemical Property of [(2R,3R,4R,5R)-2-[[(3R)-2,2-difluoro-3-hydroxytetradecanoyl]amino]-5,6-dihydroxy-1-oxo-4-phosphonooxyhexan-3-yl] (3R)-3-tetradecanoyloxytetradecanoate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.111g/cm³
• XLogP3: 13.4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 48
• Exact Mass: 957.61178525
• Heavy Atom Count: 65
• Complexity: 1260

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC(C(C=O)NC(=O)C(C(CCCCCCCCCCC)O)(F)F)C(C(CO)O)OP(=O)(O)O
• Isomeric SMILES: CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@H]([C@H](C=O)NC(=O)C([C@@H](CCCCCCCCCCC)O)(F)F)[C@@H]([C@@H](CO)O)OP(=O)(O)O