ChemSpider 2D Image | (1Z)-N-[(4E)-1-{[4-O-(alpha-D-Galactopyranosyl)-beta-D-galactopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]octadecanimidic acid | C48H91NO13

(1Z)-N-[(4E)-1-{[4-O-(α-D-Galactopyranosyl)-β-D-galactopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]octadecanimidic acid

  • Molecular FormulaC48H91NO13
  • Average mass890.235 Da
  • Monoisotopic mass889.649048 Da
  • ChemSpider ID59696960

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 12 defined stereocentres

More details:

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

(1Z)-N-[(4E)-1-{[4-O-(α-D-Galactopyranosyl)-β-D-galactopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]octadecanimidic acid [ACD/IUPAC Name]
(1Z)-N-[(4E)-1-{[4-O-(α-D-Galactopyranosyl)-β-D-galactopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]octadecanimidsäure [German] [ACD/IUPAC Name]
Acide (1Z)-N-[(4E)-1-{[4-O-(α-D-galactopyranosyl)-β-D-galactopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]octadécanimidique [French] [ACD/IUPAC Name]
Octadecanimidic acid, N-[(3E)-1-[[(4-O-α-D-galactopyranosyl-β-D-galactopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-, (1Z)- [ACD/Index Name]
Galabiosylceramide (d18:1/18:0)
N-(1-{[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl)octadecanamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 970.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.3±6.0 kJ/mol
Flash Point: 540.8±37.1 °C
Index of Refraction: 1.538
Molar Refractivity: 234.6±0.5 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 4
ACD/LogP: 13.27
ACD/LogD (pH 5.5): 10.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 231 Å2
Polarizability: 93.0±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 750.1±7.0 cm3

Click to predict properties on the Chemicalize site


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