ChemSpider 2D Image | (4Z,6R,7S)-7-(4-Bromophenyl)-7-hydroxy-2-methyl-6-phenyl-2,4-heptadien-4-yl diisopropylcarbamate | C27H34BrNO3

(4Z,6R,7S)-7-(4-Bromophenyl)-7-hydroxy-2-methyl-6-phenyl-2,4-heptadien-4-yl diisopropylcarbamate

  • Molecular FormulaC27H34BrNO3
  • Average mass500.468 Da
  • Monoisotopic mass499.172211 Da
  • ChemSpider ID30651690

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4Z,6R,7S)-7-(4-Bromophenyl)-7-hydroxy-2-methyl-6-phenyl-2,4-heptadien-4-yl diisopropylcarbamate [ACD/IUPAC Name]
(4Z,6R,7S)-7-(4-Bromphenyl)-7-hydroxy-2-methyl-6-phenyl-2,4-heptadien-4-yl-diisopropylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N,N-bis(1-methylethyl)-, (1Z,3R,4S)-4-(4-bromophenyl)-4-hydroxy-1-(2-methyl-1-propen-1-yl)-3-phenyl-1-buten-1-yl ester [ACD/Index Name]
Diisopropylcarbamate de (4Z,6R,7S)-7-(4-bromophényl)-7-hydroxy-2-méthyl-6-phényl-2,4-heptadién-4-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 593.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 312.8±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 135.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.37
ACD/LogD (pH 5.5): 7.14
ACD/BCF (pH 5.5): 156908.27
ACD/KOC (pH 5.5): 182230.09
ACD/LogD (pH 7.4): 7.14
ACD/BCF (pH 7.4): 156908.09
ACD/KOC (pH 7.4): 182229.91
Polar Surface Area: 50 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 411.0±3.0 cm3

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