ChemSpider 2D Image | [(3S)-6-({2',6'-Dimethyl-4-[3-(methylsulfonyl)propoxy]-3-biphenylyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid | C29H32O7S

[(3S)-6-({2',6'-Dimethyl-4-[3-(methylsulfonyl)propoxy]-3-biphenylyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid

  • Molecular FormulaC29H32O7S
  • Average mass524.625 Da
  • Monoisotopic mass524.186890 Da
  • ChemSpider ID129088844

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(3S)-6-({2',6'-Dimethyl-4-[3-(methylsulfonyl)propoxy]-3-biphenylyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid [ACD/IUPAC Name]
[(3S)-6-({2',6'-Dimethyl-4-[3-(methylsulfonyl)propoxy]-3-biphenylyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]essigsäure [German] [ACD/IUPAC Name]
3-Benzofuranacetic acid, 6-[[2',6'-dimethyl-4-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl]methoxy]-2,3-dihydro-, (3S)- [ACD/Index Name]
Acide [(3S)-6-({2',6'-diméthyl-4-[3-(méthylsulfonyl)propoxy]-3-biphénylyl}méthoxy)-2,3-dihydro-1-benzofuran-3-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 727.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 393.5±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 140.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 75.13
ACD/KOC (pH 5.5): 357.27
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 5.74
Polar Surface Area: 108 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 418.9±3.0 cm3

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