ChemSpider 2D Image | (2R,15Z)-N-[(2S,3S,4R)-1-(beta-D-Glucopyranosyloxy)-3,4-dihydroxy-2-pentadecanyl]-2-hydroxy-15-henicosenamide | C42H81NO10

(2R,15Z)-N-[(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-2-pentadecanyl]-2-hydroxy-15-henicosenamide

  • Molecular FormulaC42H81NO10
  • Average mass760.093 Da
  • Monoisotopic mass759.586060 Da
  • ChemSpider ID44210961

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,15Z)-N-[(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-2-pentadecanyl]-2-hydroxy-15-henicosenamid [German] [ACD/IUPAC Name]
(2R,15Z)-N-[(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-2-pentadecanyl]-2-hydroxy-15-henicosenamide [ACD/IUPAC Name]
(2R,15Z)-N-[(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-2-pentadécanyl]-2-hydroxy-15-hénicosénamide [French] [ACD/IUPAC Name]
15-Heneicosenamide, N-[(1S,2S,3R)-1-[(β-D-glucopyranosyloxy)methyl]-2,3-dihydroxytetradecyl]-2-hydroxy-, (2R,15Z)- [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: 909.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.2±6.0 kJ/mol
Flash Point: 504.0±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 212.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 4
ACD/LogP: 10.67
ACD/LogD (pH 5.5): 9.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2659674.75
ACD/LogD (pH 7.4): 9.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2659651.50
Polar Surface Area: 189 Å2
Polarizability: 84.1±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 688.5±5.0 cm3

Click to predict properties on the Chemicalize site


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