ChemSpider 2D Image | [(1S,2S)-2-{(1S,2R)-3-[(4-Biphenylylcarbonyl)oxy]-1-methoxy-2-methylpropyl}cyclopropyl]methyl 4-biphenylcarboxylate | C35H34O5

[(1S,2S)-2-{(1S,2R)-3-[(4-Biphenylylcarbonyl)oxy]-1-methoxy-2-methylpropyl}cyclopropyl]methyl 4-biphenylcarboxylate

  • Molecular FormulaC35H34O5
  • Average mass534.641 Da
  • Monoisotopic mass534.240601 Da
  • ChemSpider ID8967723

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1S,2S)-2-{(1S,2R)-3-[(4-Biphenylylcarbonyl)oxy]-1-methoxy-2-methylpropyl}cyclopropyl]methyl 4-biphenylcarboxylate [ACD/IUPAC Name]
[(1S,2S)-2-{(1S,2R)-3-[(4-Biphenylylcarbonyl)oxy]-1-methoxy-2-methylpropyl}cyclopropyl]methyl-4-biphenylcarboxylat [German] [ACD/IUPAC Name]
[1,1'-Biphenyl]-4-carboxylic acid, [(1S,2S)-2-[(1S,2R)-3-[([1,1'-biphenyl]-4-ylcarbonyl)oxy]-1-methoxy-2-methylpropyl]cyclopropyl]methyl ester [ACD/Index Name]
4-Biphénylcarboxylate de [(1S,2S)-2-{(1S,2R)-3-[(4-biphénylylcarbonyl)oxy]-1-méthoxy-2-méthylpropyl}cyclopropyl]méthyle [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: 678.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 282.9±30.2 °C
Index of Refraction: 1.588
Molar Refractivity: 155.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.35
ACD/LogD (pH 5.5): 8.13
ACD/BCF (pH 5.5): 892935.25
ACD/KOC (pH 5.5): 632653.69
ACD/LogD (pH 7.4): 8.13
ACD/BCF (pH 7.4): 892935.25
ACD/KOC (pH 7.4): 632653.69
Polar Surface Area: 62 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 461.3±3.0 cm3

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