ChemSpider 2D Image | 4-{[(5-{[(2S)-3-Hydroxy-2-methylpropyl][(5-methyl-2-furyl)sulfonyl]amino}-2,3-dihydro-1-benzofuran-6-yl)oxy]methyl}benzoic acid | C25H27NO8S

4-{[(5-{[(2S)-3-Hydroxy-2-methylpropyl][(5-methyl-2-furyl)sulfonyl]amino}-2,3-dihydro-1-benzofuran-6-yl)oxy]methyl}benzoic acid

  • Molecular FormulaC25H27NO8S
  • Average mass501.549 Da
  • Monoisotopic mass501.145752 Da
  • ChemSpider ID10156150

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{[(5-{[(2S)-3-Hydroxy-2-methylpropyl][(5-methyl-2-furyl)sulfonyl]amino}-2,3-dihydro-1-benzofuran-6-yl)oxy]methyl}benzoesäure [German] [ACD/IUPAC Name]
4-{[(5-{[(2S)-3-Hydroxy-2-methylpropyl][(5-methyl-2-furyl)sulfonyl]amino}-2,3-dihydro-1-benzofuran-6-yl)oxy]methyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{[(5-{[(2S)-3-hydroxy-2-méthylpropyl][(5-méthyl-2-furyl)sulfonyl]amino}-2,3-dihydro-1-benzofuran-6-yl)oxy]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[2,3-dihydro-5-[[(2S)-3-hydroxy-2-methylpropyl][(5-methyl-2-furanyl)sulfonyl]amino]-6-benzofuranyl]oxy]methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 740.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 401.4±35.7 °C
Index of Refraction: 1.625
Molar Refractivity: 127.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 3.56
ACD/KOC (pH 5.5): 35.49
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.03
Polar Surface Area: 135 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 360.9±3.0 cm3

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