ChemSpider 2D Image | (1Z,17Z)-N-[(2S,3R,4Z)-1-(beta-D-Glucopyranosyloxy)-3-hydroxy-4-octadecen-2-yl]-17-hexacosenimidic acid | C50H95NO8

(1Z,17Z)-N-[(2S,3R,4Z)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-4-octadecen-2-yl]-17-hexacosenimidic acid

  • Molecular FormulaC50H95NO8
  • Average mass838.291 Da
  • Monoisotopic mass837.705750 Da
  • ChemSpider ID59697049

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1Z,17Z)-N-[(2S,3R,4Z)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-4-octadecen-2-yl]-17-hexacosenimidic acid [ACD/IUPAC Name]
(1Z,17Z)-N-[(2S,3R,4Z)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-4-octadecen-2-yl]-17-hexacosenimidsäure [German] [ACD/IUPAC Name]
17-Hexacosenimidic acid, N-[(1S,2R,3Z)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-3-heptadecen-1-yl]-, (1Z,17Z)- [ACD/Index Name]
Acide (1Z,17Z)-N-[(2S,3R,4Z)-1-(β-D-glucopyranosyloxy)-3-hydroxy-4-octadécén-2-yl]-17-hexacosénimidique [French] [ACD/IUPAC Name]
Glucosylceramide (d18:1/26:1(17Z))
N-[(2S,3R)-3-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl]hexacos-17-enamide

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

Density: 1.0±0.1 g/cm3
Boiling Point: 890.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.0±6.0 kJ/mol
Flash Point: 492.4±37.1 °C
Index of Refraction: 1.510
Molar Refractivity: 241.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 17.18
ACD/LogD (pH 5.5): 14.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 152 Å2
Polarizability: 95.5±0.5 10-24cm3
Surface Tension: 38.4±7.0 dyne/cm
Molar Volume: 806.2±7.0 cm3

Click to predict properties on the Chemicalize site


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