ChemSpider 2D Image | (2R,3E)-N-[(2S,3R,4E,8E,10E)-1-(D-Glucopyranosyloxy)-3-hydroxy-9-methyl-4,8,10-pentadecatrien-2-yl]-2-hydroxy-3-octadecenamide | C40H71NO9

(2R,3E)-N-[(2S,3R,4E,8E,10E)-1-(D-Glucopyranosyloxy)-3-hydroxy-9-methyl-4,8,10-pentadecatrien-2-yl]-2-hydroxy-3-octadecenamide

  • Molecular FormulaC40H71NO9
  • Average mass709.993 Da
  • Monoisotopic mass709.512878 Da
  • ChemSpider ID28286162

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2R,3E)-N-[(2S,3R,4E,8E,10E)-1-(D-Glucopyranosyloxy)-3-hydroxy-9-methyl-4,8,10-pentadecatrien-2-yl]-2-hydroxy-3-octadecenamid [German] [ACD/IUPAC Name]
(2R,3E)-N-[(2S,3R,4E,8E,10E)-1-(D-Glucopyranosyloxy)-3-hydroxy-9-methyl-4,8,10-pentadecatrien-2-yl]-2-hydroxy-3-octadecenamide [ACD/IUPAC Name]
(2R,3E)-N-[(2S,3R,4E,8E,10E)-1-(D-Glucopyranosyloxy)-3-hydroxy-9-méthyl-4,8,10-pentadécatrién-2-yl]-2-hydroxy-3-octadécénamide [French] [ACD/IUPAC Name]
3-Octadecenamide, N-[(1S,2R,3E,7E,9E)-1-[(D-glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7,9-tetradecatrien-1-yl]-2-hydroxy-, (2R,3E)- [ACD/Index Name]
SARCOEHRENOSIDE A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 877.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.9±6.0 kJ/mol
Flash Point: 484.7±34.3 °C
Index of Refraction: 1.542
Molar Refractivity: 200.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 4
ACD/LogP: 9.66
ACD/LogD (pH 5.5): 8.19
ACD/BCF (pH 5.5): 994282.88
ACD/KOC (pH 5.5): 683260.25
ACD/LogD (pH 7.4): 8.19
ACD/BCF (pH 7.4): 994259.94
ACD/KOC (pH 7.4): 683244.50
Polar Surface Area: 169 Å2
Polarizability: 79.7±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 638.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement