ChemSpider 2D Image | N-({4'-[(1-Benzofuran-2-ylsulfinyl)methyl]-4-biphenylyl}sulfonyl)-D-valine | C26H25NO6S2

N-({4'-[(1-Benzofuran-2-ylsulfinyl)methyl]-4-biphenylyl}sulfonyl)-D-valine

  • Molecular FormulaC26H25NO6S2
  • Average mass511.610 Da
  • Monoisotopic mass511.112335 Da
  • ChemSpider ID9458641

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

D-Valine, N-[[4'-[(2-benzofuranylsulfinyl)methyl][1,1'-biphenyl]-4-yl]sulfonyl]- [ACD/Index Name]
N-({4'-[(1-Benzofuran-2-ylsulfinyl)methyl]-4-biphenylyl}sulfonyl)-D-valin [German] [ACD/IUPAC Name]
N-({4'-[(1-Benzofuran-2-ylsulfinyl)methyl]-4-biphenylyl}sulfonyl)-D-valine [ACD/IUPAC Name]
N-({4'-[(1-Benzofuran-2-ylsulfinyl)méthyl]-4-biphénylyl}sulfonyl)-D-valine [French] [ACD/IUPAC 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: 747.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 405.9±35.7 °C
Index of Refraction: 1.700
Molar Refractivity: 136.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 4.04
ACD/KOC (pH 5.5): 17.36
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.40
Polar Surface Area: 141 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 76.5±5.0 dyne/cm
Molar Volume: 354.2±5.0 cm3

Click to predict properties on the Chemicalize site


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