ChemSpider 2D Image | Isoglobotriosylceramide | C38H69NO18

Isoglobotriosylceramide

  • Molecular FormulaC38H69NO18
  • Average mass827.950 Da
  • Monoisotopic mass827.451477 Da
  • ChemSpider ID65322719

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(1Z)-N-[(2S,3R,4E)-1-{[α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]ethanimidic acid [ACD/IUPAC Name]
(1Z)-N-[(2S,3R,4E)-1-{[α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]ethanimidsäure [German] [ACD/IUPAC Name]
Acide (1Z)-N-[(2S,3R,4E)-1-{[α-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]éthanimidique [French] [ACD/IUPAC Name]
Ethanimidic acid, N-[(1S,2R,3E)-1-[[[O-α-D-galactopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-, (1Z)- [ACD/Index Name]
Isoglobotriosylceramide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1034.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 171.2±6.0 kJ/mol
Flash Point: 579.4±37.1 °C
Index of Refraction: 1.591
Molar Refractivity: 191.3±0.5 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.50
ACD/KOC (pH 5.5): 116.74
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.65
ACD/KOC (pH 7.4): 119.91
Polar Surface Area: 311 Å2
Polarizability: 75.8±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 565.9±7.0 cm3

Click to predict properties on the Chemicalize site


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