ChemSpider 2D Image | (2S,15Z)-N-[(2S,3S,4R,11Z)-1-(beta-D-Glucopyranosyloxy)-3,4-dihydroxy-11-icosen-2-yl]-2-hydroxy-15-docosenamide | C48H91NO10

(2S,15Z)-N-[(2S,3S,4R,11Z)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-11-icosen-2-yl]-2-hydroxy-15-docosenamide

  • Molecular FormulaC48H91NO10
  • Average mass842.237 Da
  • Monoisotopic mass841.664307 Da
  • ChemSpider ID44210717

  • 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

(2S,15Z)-N-[(2S,3S,4R,11Z)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-11-icosen-2-yl]-2-hydroxy-15-docosenamid [German] [ACD/IUPAC Name]
(2S,15Z)-N-[(2S,3S,4R,11Z)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-11-icosen-2-yl]-2-hydroxy-15-docosenamide [ACD/IUPAC Name]
(2S,15Z)-N-[(2S,3S,4R,11Z)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-11-icosén-2-yl]-2-hydroxy-15-docosénamide [French] [ACD/IUPAC Name]
15-Docosenamide, N-[(1S,2S,3R,10Z)-1-[(β-D-glucopyranosyloxy)methyl]-2,3-dihydroxy-10-nonadecen-1-yl]-2-hydroxy-, (2S,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: 950.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.9±6.0 kJ/mol
Flash Point: 528.6±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 239.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 4
ACD/LogP: 13.34
ACD/LogD (pH 5.5): 10.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.37
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 189 Å2
Polarizability: 95.1±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 777.7±5.0 cm3

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