Found 126 results

Search term: MF = 'C_{27}H_{36}N_{2}O_{7}S'
ChemSpider 2D Image | (2E)-N-[(1S)-2-({[(4-Methylphenyl)sulfonyl]methyl}amino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-propyl-2-octenamide | C27H36N2O7S

(2E)-N-[(1S)-2-({[(4-Methylphenyl)sulfonyl]methyl}amino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-propyl-2-octenamide

  • Molecular FormulaC27H36N2O7S
  • Average mass532.649 Da
  • Monoisotopic mass532.224304 Da
  • ChemSpider ID62288496

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-N-[(1S)-2-({[(4-Methylphenyl)sulfonyl]methyl}amino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-propyl-2-octenamid [German] [ACD/IUPAC Name]
(2E)-N-[(1S)-2-({[(4-Methylphenyl)sulfonyl]methyl}amino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-propyl-2-octenamide [ACD/IUPAC Name]
(2E)-N-[(1S)-2-({[(4-Méthylphényl)sulfonyl]méthyl}amino)-2-oxo-1-(2,4,6-trihydroxyphényl)éthyl]-N-propyl-2-octénamide [French] [ACD/IUPAC Name]
Benzeneacetamide, 2,4,6-trihydroxy-N-[[(4-methylphenyl)sulfonyl]methyl]-α-[[(2E)-1-oxo-2-octen-1-yl]propylamino]-, (αS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 838.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.0±3.0 kJ/mol
Flash Point: 461.0±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 142.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 124.84
ACD/KOC (pH 5.5): 1101.39
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 108.26
ACD/KOC (pH 7.4): 955.09
Polar Surface Area: 153 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 422.7±3.0 cm3

Click to predict properties on the Chemicalize site


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