ChemSpider 2D Image | 1-O-(alpha-D-galactopyranosyl)-N-icosa-11,14-dienoylphytosphingosine | C44H83NO9

1-O-(α-D-galactopyranosyl)-N-icosa-11,14-dienoylphytosphingosine

  • Molecular FormulaC44H83NO9
  • Average mass770.131 Da
  • Monoisotopic mass769.606812 Da
  • ChemSpider ID9882313

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(11Z,14Z)-N-[(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-octadecanyl]-11,14-icosadienamid [German] [ACD/IUPAC Name]
(11Z,14Z)-N-[(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-octadecanyl]-11,14-icosadienamide [ACD/IUPAC Name]
(11Z,14Z)-N-[(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-octadécanyl]-11,14-icosadiénamide [French] [ACD/IUPAC Name]
11,14-Eicosadienamide, N-[(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl]-, (11Z,14Z)- [ACD/Index Name]
1-O-(α-D-galactopyranosyl)-N-icosa-11,14-dienoylphytosphingosine
(11Z,14Z)-N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide
Galalpha-Cer(t18:0/20:2)
α-GalCer (C20:2)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 898.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.3±6.0 kJ/mol
Flash Point: 497.0±34.3 °C
Index of Refraction: 1.526
Molar Refractivity: 219.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 4
ACD/LogP: 11.73
ACD/LogD (pH 5.5): 10.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 9228534.00
ACD/LogD (pH 7.4): 10.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9228463.00
Polar Surface Area: 169 Å2
Polarizability: 87.2±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 716.0±5.0 cm3

Click to predict properties on the Chemicalize site


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