ChemSpider 2D Image | (betaS)-Nalpha-{4-[4-(4-Aminophenyl)-1,3-butadiyn-1-yl]benzoyl}-N,beta-dihydroxy-L-tyrosinamide | C26H21N3O5

(βS)-Nα-{4-[4-(4-Aminophenyl)-1,3-butadiyn-1-yl]benzoyl}-N,β-dihydroxy-L-tyrosinamide

  • Molecular FormulaC26H21N3O5
  • Average mass455.462 Da
  • Monoisotopic mass455.148132 Da
  • ChemSpider ID30821051

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(βS)-Nα-{4-[4-(4-Aminophenyl)-1,3-butadiin-1-yl]benzoyl}-N,β-dihydroxy-L-tyrosinamid [German] [ACD/IUPAC Name]
(βS)-Nα-{4-[4-(4-Aminophenyl)-1,3-butadiyn-1-yl]benzoyl}-N,β-dihydroxy-L-tyrosinamide [ACD/IUPAC Name]
(βS)-Nα-{4-[4-(4-Aminophényl)-1,3-butadiyn-1-yl]benzoyl}-N,β-dihydroxy-L-tyrosinamide [French] [ACD/IUPAC Name]
(βs)-Nα-{4-[4-(4-Aminophenyl)buta-1,3-Diyn-1-Yl]benzoyl}-N,β-Dihydroxy-L-Tyrosinamide
Benzenepropanamide, α-[[4-[4-(4-aminophenyl)-1,3-butadiyn-1-yl]benzoyl]amino]-N,β,4-trihydroxy-, (αS,βS)- [ACD/Index Name]
1WM

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.737
Molar Refractivity: 124.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.83
ACD/KOC (pH 5.5): 718.54
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.78
ACD/KOC (pH 7.4): 707.56
Polar Surface Area: 145 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 92.9±5.0 dyne/cm
Molar Volume: 310.7±5.0 cm3

Click to predict properties on the Chemicalize site


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