ChemSpider 2D Image | (2R)-N-[(2S,3R,4E,13E)-1-(beta-D-Glucopyranosyloxy)-3-hydroxy-4,13-octadecadien-2-yl]-2-hydroxyhexadecanamide | C40H75NO9

(2R)-N-[(2S,3R,4E,13E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-4,13-octadecadien-2-yl]-2-hydroxyhexadecanamide

  • Molecular FormulaC40H75NO9
  • Average mass714.025 Da
  • Monoisotopic mass713.544189 Da
  • ChemSpider ID35516955

  • 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,4E,13E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-4,13-octadecadien-2-yl]-2-hydroxyhexadecanamid [German] [ACD/IUPAC Name]
(2R)-N-[(2S,3R,4E,13E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-4,13-octadecadien-2-yl]-2-hydroxyhexadecanamide [ACD/IUPAC Name]
(2R)-N-[(2S,3R,4E,13E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-4,13-octadécadién-2-yl]-2-hydroxyhexadécanamide [French] [ACD/IUPAC Name]
Hexadecanamide, N-[(1S,2R,3E,12E)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-3,12-heptadecadien-1-yl]-2-hydroxy-, (2R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 866.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.1±6.0 kJ/mol
Flash Point: 478.0±34.3 °C
Index of Refraction: 1.530
Molar Refractivity: 201.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 4
ACD/LogP: 10.19
ACD/LogD (pH 5.5): 8.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1238349.00
ACD/LogD (pH 7.4): 8.67
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1238335.38
Polar Surface Area: 169 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 652.0±5.0 cm3

Click to predict properties on the Chemicalize site


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