ChemSpider 2D Image | 1-O-(alpha-D-galactopyranuronosyl)-N-tetradecanoyldihydrosphingosine | C38H73NO9

1-O-(α-D-galactopyranuronosyl)-N-tetradecanoyldihydrosphingosine

  • Molecular FormulaC38H73NO9
  • Average mass687.987 Da
  • Monoisotopic mass687.528503 Da
  • ChemSpider ID4925731

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,3R)-3-Hydroxy-2-(tetradecanoylamino)octadecyl α-D-galactopyranosiduronic acid [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-2-(tetradecanoylamino)octadecyl-α-D-galactopyranosiduronsäure [German] [ACD/IUPAC Name]
1-O-(α-D-galactopyranuronosyl)-N-tetradecanoyldihydrosphingosine
Acide α-D-galactopyranosiduronique de (2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadécyle [French] [ACD/IUPAC Name]
Tetradecanamide, N-[(1S,2R)-1-[(α-D-galactopyranuronosyloxy)methyl]-2-hydroxyheptadecyl]- [ACD/Index Name]
(2S,3R)-N-MYRISTOYL-1-O-(α-D-GALACTURONOSYL)-2-N-OCTADECANE-3-OL
GalA-GSL
GSL
GSL-1
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL406974/
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:528825 [DBID]
10232866 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 845.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.8±6.0 kJ/mol
Flash Point: 465.4±34.3 °C
Index of Refraction: 1.516
Molar Refractivity: 190.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 4
ACD/LogP: 10.24
ACD/LogD (pH 5.5): 7.25
ACD/BCF (pH 5.5): 39894.77
ACD/KOC (pH 5.5): 10796.14
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 5137.66
ACD/KOC (pH 7.4): 1390.33
Polar Surface Area: 166 Å2
Polarizability: 75.7±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 632.3±5.0 cm3

Click to predict properties on the Chemicalize site


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