N-[(E,2S,3R)-1-[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]octanamide

Base Information

• Chemical Name: N-[(E,2S,3R)-1-[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]octanamide
• CAS No.: 384842-72-2
• Molecular Formula: C38H71NO13
• Molecular Weight: 750.0
• DSSTox Substance ID: DTXSID90677048
• Mol file: 384842-72-2.mol

Synonyms:384842-72-2;CID 46891733;N-[(E,2S,3R)-1-[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]octanamide;DTXSID90677048;N-[(2S,3R,4E)-1-{[4-O-(alpha-L-glycero-Hexopyranosyl)-beta-D-glycero-hexopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]octanamide

Chemical Property of N-[(E,2S,3R)-1-[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]octanamide

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 28
• Exact Mass: 749.49254132
• Heavy Atom Count: 52
• Complexity: 945

Purity/Quality:

99% ^*data from raw suppliers

D-LACTOSYL-BETA-1,1'-N-OCTANOYL-D-ERYTHRO-SPHINGOSINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)NC(=O)CCCCCCC)O
• Isomeric SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1C(C([C@@H](C(O1)CO)O[C@H]2C(C([C@H](C(O2)CO)O)O)O)O)O)NC(=O)CCCCCCC)O