ChemSpider 2D Image | (4R)-4-[(1Z,5E,7E,11S)-11-Methoxy-8-methyl-1,5,7,13-tetradecatetraen-1-yl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole | C23H35NOS

(4R)-4-[(1Z,5E,7E,11S)-11-Methoxy-8-methyl-1,5,7,13-tetradecatetraen-1-yl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole

  • Molecular FormulaC23H35NOS
  • Average mass373.595 Da
  • Monoisotopic mass373.243927 Da
  • ChemSpider ID30845235

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4R)-4-[(1Z,5E,7E,11S)-11-Methoxy-8-methyl-1,5,7,13-tetradecatetraen-1-yl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazol [German] [ACD/IUPAC Name]
(4R)-4-[(1Z,5E,7E,11S)-11-Methoxy-8-methyl-1,5,7,13-tetradecatetraen-1-yl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole [ACD/IUPAC Name]
(4R)-4-[(1Z,5E,7E,11S)-11-Méthoxy-8-méthyl-1,5,7,13-tétradécatétraén-1-yl]-2-[(1R,2S)-2-méthylcyclopropyl]-4,5-dihydro-1,3-thiazole [French] [ACD/IUPAC Name]
Thiazole, 4,5-dihydro-4-[(1Z,5E,7E,11S)-11-methoxy-8-methyl-1,5,7,13-tetradecatetraen-1-yl]-2-[(1R,2S)-2-methylcyclopropyl]-, (4R)- [ACD/Index Name]
Curacin A [Wiki]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 471.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 239.1±28.7 °C
Index of Refraction: 1.537
Molar Refractivity: 115.0±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6163.04
ACD/KOC (pH 5.5): 17590.01
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6626.14
ACD/KOC (pH 7.4): 18911.72
Polar Surface Area: 47 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 34.4±7.0 dyne/cm
Molar Volume: 367.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement