ChemSpider 2D Image | (2E,5S,6R,7S,9R,10Z,12E,15R,16E,18E)-17-Ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8-oxo-2,10,12,16,18-nonadecapentaenoic acid | C33H48O6

(2E,5S,6R,7S,9R,10Z,12E,15R,16E,18E)-17-Ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8-oxo-2,10,12,16,18-nonadecapentaenoic acid

  • Molecular FormulaC33H48O6
  • Average mass540.731 Da
  • Monoisotopic mass540.345093 Da
  • ChemSpider ID59702654

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2E,5S,6R,7S,9R,10Z,12E,15R,16E,18E)-17-Ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8-oxo-2,10,12,16,18-nonadecapentaenoic acid [ACD/IUPAC Name]
(2E,5S,6R,7S,9R,10Z,12E,15R,16E,18E)-17-Ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8-oxo-2,10,12,16,18-nonadecapentaensäure [German] [ACD/IUPAC Name]
2,10,12,16,18-Nonadecapentaenoic acid, 19-[(2S,3S)-3,6-dihydro-3-methyl-6-oxo-2H-pyran-2-yl]-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-, (2E,5S,6R,7S,9R,10Z,12E,15R,16E,18E)- [ACD/Index Name]
Acide (2E,5S,6R,7S,9R,10Z,12E,15R,16E,18E)-17-éthyl-6-hydroxy-3,5,7,9,11,15-hexaméthyl-19-[(2S,3S)-3-méthyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8-oxo-2,10,12,16,18-nonadécapentaénoïque [French] [ACD/IUPAC Name]
E'leptomycin'

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

Density: 1.1±0.1 g/cm3
Boiling Point: 725.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 121.0±6.0 kJ/mol
Flash Point: 224.8±26.4 °C
Index of Refraction: 1.542
Molar Refractivity: 158.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 2803.69
ACD/KOC (pH 5.5): 7055.18
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 50.01
ACD/KOC (pH 7.4): 125.86
Polar Surface Area: 101 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 504.3±3.0 cm3

Click to predict properties on the Chemicalize site


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