ChemSpider 2D Image | (3S)-5-(4'-Acetyl-4-biphenylyl)-3-hydroxypentanoic acid | C19H20O4

(3S)-5-(4'-Acetyl-4-biphenylyl)-3-hydroxypentanoic acid

  • Molecular FormulaC19H20O4
  • Average mass312.360 Da
  • Monoisotopic mass312.136169 Da
  • ChemSpider ID25059234
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-5-(4'-Acetyl-4-biphenylyl)-3-hydroxypentanoic acid [ACD/IUPAC Name]
(3S)-5-(4'-Acetyl-4-biphenylyl)-3-hydroxypentansäure [German] [ACD/IUPAC Name]
(3S)-5-(4'-acetylbiphenyl-4-yl)-3-hydroxypentanoic acid
[1,1'-Biphenyl]-4-pentanoic acid, 4'-acetyl-β-hydroxy-, (βS)- [ACD/Index Name]
Acide (3S)-5-(4'-acétyl-4-biphénylyl)-3-hydroxypentanoïque [French] [ACD/IUPAC Name]
068

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 547.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 299.0±26.6 °C
Index of Refraction: 1.584
Molar Refractivity: 87.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 3.34
ACD/KOC (pH 5.5): 35.66
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 261.1±3.0 cm3

Click to predict properties on the Chemicalize site






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