ChemSpider 2D Image | 3-{2-Fluoro-4-[({4'-[(4-hydroxy-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methoxy]-2',6'-dimethyl-3-biphenylyl}methyl)amino]phenyl}propanoic acid | C30H34FNO6S

3-{2-Fluoro-4-[({4'-[(4-hydroxy-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methoxy]-2',6'-dimethyl-3-biphenylyl}methyl)amino]phenyl}propanoic acid

  • Molecular FormulaC30H34FNO6S
  • Average mass555.657 Da
  • Monoisotopic mass555.209106 Da
  • ChemSpider ID10174668

More details:

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

3-{2-Fluor-4-[({4'-[(4-hydroxy-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methoxy]-2',6'-dimethyl-3-biphenylyl}methyl)amino]phenyl}propansäure [German] [ACD/IUPAC Name]
3-{2-Fluoro-4-[({4'-[(4-hydroxy-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methoxy]-2',6'-dimethyl-3-biphenylyl}methyl)amino]phenyl}propanoic acid [ACD/IUPAC Name]
Acide 3-{2-fluoro-4-[({4'-[(4-hydroxy-1,1-dioxydotétrahydro-2H-thiopyrane-4-yl)méthoxy]-2',6'-diméthyl-3-biphénylyl}méthyl)amino]phényl}propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-[[[2',6'-dimethyl-4'-[(tetrahydro-4-hydroxy-1,1-dioxido-2H-thiopyran-4-yl)methoxy][1,1'-biphenyl]-3-yl]methyl]amino]-2-fluoro- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 762.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 414.9±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 147.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 131.55
ACD/KOC (pH 5.5): 666.52
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 2.11
ACD/KOC (pH 7.4): 10.68
Polar Surface Area: 121 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 424.1±3.0 cm3

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