ChemSpider 2D Image | 1-O-(4-deoxy-alpha-D-xylo-hexopyranosyl)-N-hexacosanoylsphinganine | C50H99NO7

1-O-(4-deoxy-α-D-xylo-hexopyranosyl)-N-hexacosanoylsphinganine

  • Molecular FormulaC50H99NO7
  • Average mass826.324 Da
  • Monoisotopic mass825.742126 Da
  • ChemSpider ID24621329

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1-O-(4-deoxy-α-D-xylo-hexopyranosyl)-N-hexacosanoylsphinganine
Hexacosanamide, N-[(1S,2R)-1-[[(4-deoxy-α-D-xylo-hexopyranosyl)oxy]methyl]-2-hydroxyheptadecyl]- [ACD/Index Name]
N-{(2S,3R)-1-[(4-Deoxy-α-D-xylo-hexopyranosyl)oxy]-3-hydroxy-2-octadecanyl}hexacosanamide [ACD/IUPAC Name]
N-{(2S,3R)-1-[(4-Desoxy-α-D-xylo-hexopyranosyl)oxy]-3-hydroxy-2-octadecanyl}hexacosanamid [German] [ACD/IUPAC Name]
N-{(2S,3R)-1-[(4-Désoxy-α-D-xylo-hexopyranosyl)oxy]-3-hydroxy-2-octadécanyl}hexacosanamide [French] [ACD/IUPAC Name]
(2S,3R)-1-(4''-deoxy-α-D-galactopyranosyl)-2-hexacosanoylaminooctadecane-3-ol
1-O-(4-deoxy-α-D-galactopyranosyl)-N-hexacosanoylsphinganine
4',4''-deoxy-α-GalCer
4-deoxy-Galalpha-Cer(d18:0/26:0)
4GH
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 894.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.6±6.0 kJ/mol
Flash Point: 494.5±34.3 °C
Index of Refraction: 1.502
Molar Refractivity: 244.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: 18.77
ACD/LogD (pH 5.5): 16.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 128 Å2
Polarizability: 97.0±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 829.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement