(2R)-2-hydroxy-N-[(2S)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]octadecanamide

Base Information

• Chemical Name: (2R)-2-hydroxy-N-[(2S)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]octadecanamide
• CAS No.: 102489-95-2
• Molecular Formula: C42H83 N O9
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID90907615
• Mol file: 102489-95-2.mol

Synonyms:Glu-HODDS;glucosyl-N-(2-hydroxyoctadecanoyl)dihydrosphingosine

Chemical Property of (2R)-2-hydroxy-N-[(2S)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]octadecanamide

Chemical Property:

• Vapor Pressure: 1.79E-35mmHg at 25°C
• Boiling Point: 871.6°Cat760mmHg
• Flash Point: 480.9°C
• PSA: 168.94000
• Density: 1.06g/cm³
• LogP: 7.75310
• XLogP3: 12.1
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 36
• Exact Mass: 745.60678323
• Heavy Atom Count: 52
• Complexity: 805

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(CCCCCCCCCCCCCCC)O)O
• Isomeric SMILES: CCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(CCCCCCCCCCCCCCC)O)O