ChemSpider 2D Image | (3S)-5-biphenyl-4-yl-3-hydroxypentanoic acid | C17H18O3

(3S)-5-biphenyl-4-yl-3-hydroxypentanoic acid

  • Molecular FormulaC17H18O3
  • Average mass270.323 Da
  • Monoisotopic mass270.125580 Da
  • ChemSpider ID25057765

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-5-(4-Biphenylyl)-3-hydroxypentanoic acid [ACD/IUPAC Name]
(3S)-5-(4-Biphenylyl)-3-hydroxypentansäure [German] [ACD/IUPAC Name]
(3S)-5-biphenyl-4-yl-3-hydroxypentanoic acid
[1,1'-Biphenyl]-4-pentanoic acid, β-hydroxy-, (βS)- [ACD/Index Name]
Acide (3S)-5-(4-biphénylyl)-3-hydroxypentanoïque [French] [ACD/IUPAC Name]

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

077 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 499.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 270.2±25.2 °C
Index of Refraction: 1.589
Molar Refractivity: 77.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 4.08
ACD/KOC (pH 5.5): 41.22
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 229.6±3.0 cm3

Click to predict properties on the Chemicalize site


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