ChemSpider 2D Image | curacin E | C23H35NO2S

curacin E

  • Molecular FormulaC23H35NO2S
  • Average mass389.595 Da
  • Monoisotopic mass389.238861 Da
  • ChemSpider ID58197392

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(8E,10E,14Z)-5-Methoxy-15-{(4R)-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazol-4-yl}-8,10,14-pentadecatrien-3-on [German] [ACD/IUPAC Name]
(8E,10E,14Z)-5-Methoxy-15-{(4R)-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazol-4-yl}-8,10,14-pentadecatrien-3-one [ACD/IUPAC Name]
(8E,10E,14Z)-5-Méthoxy-15-{(4R)-2-[(1R,2S)-2-méthylcyclopropyl]-4,5-dihydro-1,3-thiazol-4-yl}-8,10,14-pentadécatrién-3-one [French] [ACD/IUPAC Name]
8,10,14-Pentadecatrien-3-one, 15-[(4R)-4,5-dihydro-2-[(1R,2S)-2-methylcyclopropyl]-4-thiazolyl]-5-methoxy-, (8E,10E,14Z)- [ACD/Index Name]
curacin E

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

Density: 1.1±0.1 g/cm3
Boiling Point: 518.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.2±30.1 °C
Index of Refraction: 1.546
Molar Refractivity: 116.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2269.15
ACD/KOC (pH 5.5): 8603.47
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2439.45
ACD/KOC (pH 7.4): 9249.14
Polar Surface Area: 64 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 37.2±7.0 dyne/cm
Molar Volume: 366.1±7.0 cm3

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