ChemSpider 2D Image | 4-Amino-N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide | C20H29N3O4S

4-Amino-N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide

  • Molecular FormulaC20H29N3O4S
  • Average mass407.527 Da
  • Monoisotopic mass407.187866 Da
  • ChemSpider ID81368455

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Amino-N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide [ACD/IUPAC Name]
4-Amino-N-[(2R,3S)-3-amino-2-hydroxy-4-phénylbutyl]-N-(2-hydroxy-2-méthylpropyl)benzènesulfonamide [French] [ACD/IUPAC Name]
4-Amino-N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-hydroxy-2-methylpropyl)benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-amino-N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-hydroxy-2-methylpropyl)- [ACD/Index Name]
1809097-04-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 650.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 347.0±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 111.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.68
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.58
Polar Surface Area: 138 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 316.5±3.0 cm3

Click to predict properties on the Chemicalize site


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