ChemSpider 2D Image | (betaS)-Nalpha-{4-[4-(4-Aminophenyl)-1,3-butadiyn-1-yl]benzoyl}-N,beta-dihydroxy-beta-methyl-L-tyrosinamide | C27H23N3O5

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

  • Molecular FormulaC27H23N3O5
  • Average mass469.489 Da
  • Monoisotopic mass469.163757 Da
  • ChemSpider ID30821052

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

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.725
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.09
ACD/KOC (pH 5.5): 1182.76
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 137.23
ACD/KOC (pH 7.4): 1175.39
Polar Surface Area: 145 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 89.0±5.0 dyne/cm
Molar Volume: 326.6±5.0 cm3

Click to predict properties on the Chemicalize site


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