ChemSpider 2D Image | (17Z)-N-[(2S,3R,4E)-1-{[4-O-(alpha-D-Galactopyranosyl)-beta-D-galactopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]-17-hexacosenamide | C56H105NO13

(17Z)-N-[(2S,3R,4E)-1-{[4-O-(α-D-Galactopyranosyl)-β-D-galactopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]-17-hexacosenamide

  • Molecular FormulaC56H105NO13
  • Average mass1000.432 Da
  • Monoisotopic mass999.758606 Da
  • ChemSpider ID113383688

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(17Z)-N-[(2S,3R,4E)-1-{[4-O-(α-D-Galactopyranosyl)-β-D-galactopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]-17-hexacosenamid [German] [ACD/IUPAC Name]
(17Z)-N-[(2S,3R,4E)-1-{[4-O-(α-D-Galactopyranosyl)-β-D-galactopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]-17-hexacosenamide [ACD/IUPAC Name]
(17Z)-N-[(2S,3R,4E)-1-{[4-O-(α-D-Galactopyranosyl)-β-D-galactopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]-17-hexacosénamide [French] [ACD/IUPAC Name]
17-Hexacosenamide, N-[(1S,2R,3E)-1-[[(4-O-α-D-galactopyranosyl-β-D-galactopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-, (17Z)- [ACD/Index Name]
Galalpha1-4Galbeta-Cer(d18:1/26:1(17Z))

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1050.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 174.0±6.0 kJ/mol
Flash Point: 589.1±34.3 °C
Index of Refraction: 1.536
Molar Refractivity: 279.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 4
ACD/LogP: 15.99
ACD/LogD (pH 5.5): 13.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 228 Å2
Polarizability: 110.9±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 897.1±5.0 cm3

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