Glucosyl-N-(2-hydroxyoctadecanoyl)dihydrosphingosine
(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
Also Known As: Glu-hodds|Glucosyl-N-(2-hydroxyoctadecanoyl)dihydrosphingosine|(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|N-[1-(Hexopyranosyloxy)-3-hydroxyoctadecan-2-yl]-2-hydroxyoctadecanimidic acid|(2R)-N-[(2S)-1-(beta-D-Glucopyranosyloxy)-3-hydroxyoctadecan-2-yl]-2-hydroxyoctadecanimidic acid
| Molecular Formula | C42H83NO9 |
|---|---|
| Molecular Weight | 745.6068 g/mol |
| LogP | 12.1 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 36 |
| Exact Mass | 745.6068 |
| Monoisotopic Mass | 745.6068 |
| Heavy Atoms | 52 |
| Complexity | 805.0 |
Chemical Identifiers
| CAS Number | 102489-95-2 |
|---|---|
| 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 |
| InChIKey | LMRASRFPQLEHDY-GTOUIMRISA-N |
Product Overview
Glucosyl-N-(2-hydroxyoctadecanoyl)dihydrosphingosine (CAS 102489-95-2), with molecular formula C42H83NO9 and molecular weight 745.6068 g/mol. IUPAC: (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.