Found 7 results

Search term: MF = 'C_{44}H_{85}NO_{9}'
ChemSpider 2D Image | (2R)-N-[(2S,3R,8Z)-1-(beta-D-Glucopyranosyloxy)-3-hydroxy-8-octadecen-2-yl]-2-hydroxyicosanamide | C44H85NO9

(2R)-N-[(2S,3R,8Z)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-8-octadecen-2-yl]-2-hydroxyicosanamide

  • Molecular FormulaC44H85NO9
  • Average mass772.147 Da
  • Monoisotopic mass771.622437 Da
  • ChemSpider ID113381820

  • 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

(2R)-N-[(2S,3R,8Z)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-8-octadecen-2-yl]-2-hydroxyicosanamid [German] [ACD/IUPAC Name]
(2R)-N-[(2S,3R,8Z)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-8-octadecen-2-yl]-2-hydroxyicosanamide [ACD/IUPAC Name]
(2R)-N-[(2S,3R,8Z)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-8-octadécén-2-yl]-2-hydroxyicosanamide [French] [ACD/IUPAC Name]
Eicosanamide, N-[(1S,2R,7Z)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-7-heptadecen-1-yl]-2-hydroxy-, (2R)- [ACD/Index Name]
1-O-glucopyranosyl-2-N-2'-hydroxyicosanoyl-8Z-sphingenine
GlcCer(d18:1(8Z)/20:0(2OH[R]))
N-(2R-hydroxyicosanoyl)-1-β-glucosyl-8Z-octadecasphingenine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 897.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.2±6.0 kJ/mol
Flash Point: 496.7±34.3 °C
Index of Refraction: 1.521
Molar Refractivity: 219.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 4
ACD/LogP: 12.45
ACD/LogD (pH 5.5): 11.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 169 Å2
Polarizability: 87.2±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 722.7±5.0 cm3

Click to predict properties on the Chemicalize site


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