ChemSpider 2D Image | (16E)-17-Ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxo-16,18-nonadecadien-2-yl (3R)-3-hydroxy-3-(4-methyl-2,5-dioxo-2,5-dihydro-3-furanyl)propanoate | C33H50O10

(16E)-17-Ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxo-16,18-nonadecadien-2-yl (3R)-3-hydroxy-3-(4-methyl-2,5-dioxo-2,5-dihydro-3-furanyl)propanoate

  • Molecular FormulaC33H50O10
  • Average mass606.744 Da
  • Monoisotopic mass606.340393 Da
  • ChemSpider ID78445659

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 8 defined stereocentres

More details:

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

(16E)-17-Ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxo-16,18-nonadecadien-2-yl (3R)-3-hydroxy-3-(4-methyl-2,5-dioxo-2,5-dihydro-3-furanyl)propanoate [ACD/IUPAC Name]
(16E)-17-Ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxo-16,18-nonadecadien-2-yl-(3R)-3-hydroxy-3-(4-methyl-2,5-dioxo-2,5-dihydro-3-furanyl)propanoat [German] [ACD/IUPAC Name]
(3R)-3-Hydroxy-3-(4-méthyl-2,5-dioxo-2,5-dihydro-3-furanyl)propanoate de (16E)-17-éthyl-4,8-dihydroxy-3,7,11,13-tétraméthyl-6,15-dioxo-16,18-nonadécadién-2-yle [French] [ACD/IUPAC Name]
3-Furanpropanoic acid, 2,5-dihydro-β-hydroxy-4-methyl-2,5-dioxo-, (15E)-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5,14-dioxo-15,17-octadecadien-1-yl ester, (βR)- [ACD/Index Name]
Tautomycetin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 763.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.8±6.0 kJ/mol
Flash Point: 233.9±26.4 °C
Index of Refraction: 1.518
Molar Refractivity: 160.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 425.85
ACD/KOC (pH 5.5): 2652.32
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 425.85
ACD/KOC (pH 7.4): 2652.29
Polar Surface Area: 165 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 528.2±3.0 cm3

Click to predict properties on the Chemicalize site


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