ChemSpider 2D Image | (2R)-N-[(2S,3R,4E)-1-(beta-D-Glucopyranosyloxy)-3,8-dihydroxy-9-methyl-4-octadecen-2-yl]-2-hydroxyhexadecanamide | C41H79NO10

(2R)-N-[(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-3,8-dihydroxy-9-methyl-4-octadecen-2-yl]-2-hydroxyhexadecanamide

  • Molecular FormulaC41H79NO10
  • Average mass746.067 Da
  • Monoisotopic mass745.570374 Da
  • ChemSpider ID8254299

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(2R)-N-[(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-3,8-dihydroxy-9-methyl-4-octadecen-2-yl]-2-hydroxyhexadecanamid [German] [ACD/IUPAC Name]
(2R)-N-[(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-3,8-dihydroxy-9-methyl-4-octadecen-2-yl]-2-hydroxyhexadecanamide [ACD/IUPAC Name]
(2R)-N-[(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-3,8-dihydroxy-9-méthyl-4-octadécén-2-yl]-2-hydroxyhexadécanamide [French] [ACD/IUPAC Name]
Hexadecanamide, N-[(1S,2R,3E)-1-[(β-D-glucopyranosyloxy)methyl]-2,7-dihydroxy-8-methyl-3-heptadecen-1-yl]-2-hydroxy-, (2R)- [ACD/Index Name]
N-(2R-hydroxy-hexadecanoyl)-1-β-glucosyl-8-hydroxy,9-methyl-sphing-4E-enine
Termitomycesphin E

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

Density: 1.1±0.1 g/cm3
Boiling Point: 899.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.5±6.0 kJ/mol
Flash Point: 497.9±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 207.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 4
ACD/LogP: 8.99
ACD/LogD (pH 5.5): 9.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2035584.38
ACD/LogD (pH 7.4): 9.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2035566.50
Polar Surface Area: 189 Å2
Polarizability: 82.3±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 673.1±5.0 cm3

Click to predict properties on the Chemicalize site


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