ChemSpider 2D Image | (2R)-N-[(2S,3R,4E,7E)-1-(beta-D-Glucopyranosyloxy)-3,9-dihydroxy-9-methyl-4,7-octadecadien-2-yl]-2-hydroxyoctadecanamide | C43H81NO10

(2R)-N-[(2S,3R,4E,7E)-1-(β-D-Glucopyranosyloxy)-3,9-dihydroxy-9-methyl-4,7-octadecadien-2-yl]-2-hydroxyoctadecanamide

  • Molecular FormulaC43H81NO10
  • Average mass772.104 Da
  • Monoisotopic mass771.586060 Da
  • ChemSpider ID8570854

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(2R)-N-[(2S,3R,4E,7E)-1-(β-D-Glucopyranosyloxy)-3,9-dihydroxy-9-methyl-4,7-octadecadien-2-yl]-2-hydroxyoctadecanamid [German] [ACD/IUPAC Name]
(2R)-N-[(2S,3R,4E,7E)-1-(β-D-Glucopyranosyloxy)-3,9-dihydroxy-9-methyl-4,7-octadecadien-2-yl]-2-hydroxyoctadecanamide [ACD/IUPAC Name]
(2R)-N-[(2S,3R,4E,7E)-1-(β-D-Glucopyranosyloxy)-3,9-dihydroxy-9-méthyl-4,7-octadécadién-2-yl]-2-hydroxyoctadécanamide [French] [ACD/IUPAC Name]
Octadecanamide, N-[(1S,2R,3E,6E)-1-[(β-D-glucopyranosyloxy)methyl]-2,8-dihydroxy-8-methyl-3,6-heptadecadien-1-yl]-2-hydroxy-, (2R)- [ACD/Index Name]
N-(2R-hydroxy-octadecanoyl)-1-β-glucosyl-9-hydroxy-9-methyl-sphing-4E,7E-dienine
Termitomycesphin D

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

Density: 1.1±0.1 g/cm3
Boiling Point: 913.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.8±6.0 kJ/mol
Flash Point: 506.4±34.3 °C
Index of Refraction: 1.534
Molar Refractivity: 216.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 4
ACD/LogP: 9.89
ACD/LogD (pH 5.5): 9.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3411745.50
ACD/LogD (pH 7.4): 9.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3411715.50
Polar Surface Area: 189 Å2
Polarizability: 85.9±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 697.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement