ChemSpider 2D Image | mandelalide L | C41H66O12

mandelalide L

  • Molecular FormulaC41H66O12
  • Average mass750.956 Da
  • Monoisotopic mass750.455444 Da
  • ChemSpider ID62285707

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

{(1R,3R,4E,6Z,9S,10S,12S,13S,15S,18E,21S,23R)-23-[(6-Deoxy-2-O-methyl-α-L-mannopyranosyl)oxy]-13-hydroxy-3,10-dimethyl-17-oxo-16,25,26-trioxatricyclo[19.3.1.19,12]hexacosa-4,6,18-trien-15-yl}met ; hyl octanoate [ACD/IUPAC Name]
{(1R,3R,4E,6Z,9S,10S,12S,13S,15S,18E,21S,23R)-23-[(6-Desoxy-2-O-methyl-α-L-mannopyranosyl)oxy]-13-hydroxy-3,10-dimethyl-17-oxo-16,25,26-trioxatricyclo[19.3.1.19,12]hexacosa-4,6,18-trien-15-yl}me ; thyl-octanoat [German] [ACD/IUPAC Name]
mandelalide L
Octanoate de {(1R,3R,4E,6Z,9S,10S,12S,13S,15S,18E,21S,23R)-23-[(6-désoxy-2-O-méthyl-α-L-mannopyranosyl)oxy]-13-hydroxy-3,10-diméthyl-17-oxo-16,25,26-trioxatricyclo[19.3.1.19,12]hexacosa-4,6,18-t
 rién-15-yl}méthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 847.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.1±6.0 kJ/mol
Flash Point: 247.1±27.8 °C
Index of Refraction: 1.542
Molar Refractivity: 200.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 55331.43
ACD/KOC (pH 5.5): 86417.39
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 55331.19
ACD/KOC (pH 7.4): 86417.02
Polar Surface Area: 159 Å2
Polarizability: 79.4±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 635.9±5.0 cm3

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