ChemSpider 2D Image | N-[(4'-Iodo-4-biphenylyl)sulfonyl]-D-tryptophan | C23H19IN2O4S

N-[(4'-Iodo-4-biphenylyl)sulfonyl]-D-tryptophan

  • Molecular FormulaC23H19IN2O4S
  • Average mass546.377 Da
  • Monoisotopic mass546.010986 Da
  • ChemSpider ID17286394

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Tryptophan, N-[(4'-iodo[1,1'-biphenyl]-4-yl)sulfonyl]- [ACD/Index Name]
N-[(4'-Iod-4-biphenylyl)sulfonyl]-D-tryptophan [German] [ACD/IUPAC Name]
N-[(4'-Iodo-4-biphenylyl)sulfonyl]-D-tryptophan [ACD/IUPAC Name]
N-[(4'-Iodo-4-biphénylyl)sulfonyl]-D-tryptophane [French] [ACD/IUPAC Name]
N-[(4'-Iodobiphenyl-4-Yl)sulfonyl]-D-Tryptophan
6MR [WLN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 729.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 394.7±35.7 °C
Index of Refraction: 1.711
Molar Refractivity: 128.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 5.97
ACD/KOC (pH 5.5): 23.06
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.84
Polar Surface Area: 108 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 328.5±3.0 cm3

Click to predict properties on the Chemicalize site


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