ChemSpider 2D Image | (2E,4E,8R,10S,13S,14S,17R,18S,19R)-4-Ethyl-13,17-dihydroxy-19-{[(3R)-3-hydroxy-3-(4-methyl-2,5-dioxo-2,5-dihydro-3-furanyl)propanoyl]oxy}-8,10,14,18-tetramethyl-6,15-dioxo-2,4-icosadienoic acid | C34H50O12

(2E,4E,8R,10S,13S,14S,17R,18S,19R)-4-Ethyl-13,17-dihydroxy-19-{[(3R)-3-hydroxy-3-(4-methyl-2,5-dioxo-2,5-dihydro-3-furanyl)propanoyl]oxy}-8,10,14,18-tetramethyl-6,15-dioxo-2,4-icosadienoic acid

  • Molecular FormulaC34H50O12
  • Average mass650.754 Da
  • Monoisotopic mass650.330200 Da
  • ChemSpider ID58911277

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2E,4E,8R,10S,13S,14S,17R,18S,19R)-4-Ethyl-13,17-dihydroxy-19-{[(3R)-3-hydroxy-3-(4-methyl-2,5-dioxo-2,5-dihydro-3-furanyl)propanoyl]oxy}-8,10,14,18-tetramethyl-6,15-dioxo-2,4-icosadienoic acid [ACD/IUPAC Name]
(2E,4E,8R,10S,13S,14S,17R,18S,19R)-4-Ethyl-13,17-dihydroxy-19-{[(3R)-3-hydroxy-3-(4-methyl-2,5-dioxo-2,5-dihydro-3-furanyl)propanoyl]oxy}-8,10,14,18-tetramethyl-6,15-dioxo-2,4-icosadiensäure [German] [ACD/IUPAC Name]
3-Furanpropanoic acid, 2,5-dihydro-β-hydroxy-4-methyl-2,5-dioxo-, (1R,2S,3R,6S,7S,10S,12R,15E,17E)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5,14-dioxo-15,17-octadecadien-1-yl ester , (βR)- [ACD/Index Name]
Acide (2E,4E,8R,10S,13S,14S,17R,18S,19R)-4-éthyl-13,17-dihydroxy-19-{[(3R)-3-hydroxy-3-(4-méthyl-2,5-dioxo-2,5-dihydro-3-furanyl)propanoyl]oxy}-8,10,14,18-tétraméthyl-6,15-dioxo-2,4-icosadiénoïque [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: 844.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.6±6.0 kJ/mol
Flash Point: 259.0±27.8 °C
Index of Refraction: 1.532
Molar Refractivity: 166.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 6.78
ACD/KOC (pH 5.5): 66.08
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.05
Polar Surface Area: 202 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 537.8±3.0 cm3

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