ChemSpider 2D Image | 3,5-dibromo-O-{4-hydroxy-3-[(6-hydroxypyridazin-3-yl)methyl]phenyl}-L-tyrosine | C20H17Br2N3O5

3,5-dibromo-O-{4-hydroxy-3-[(6-hydroxypyridazin-3-yl)methyl]phenyl}-L-tyrosine

  • Molecular FormulaC20H17Br2N3O5
  • Average mass539.174 Da
  • Monoisotopic mass536.953491 Da
  • ChemSpider ID18587460

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3,5-Dibrom-O-{4-hydroxy-3-[(6-oxo-1,6-dihydro-3-pyridazinyl)methyl]phenyl}-L-tyrosin [German] [ACD/IUPAC Name]
3,5-dibromo-O-{4-hydroxy-3-[(6-hydroxypyridazin-3-yl)methyl]phenyl}-L-tyrosine
3,5-Dibromo-O-{4-hydroxy-3-[(6-oxo-1,6-dihydro-3-pyridazinyl)methyl]phenyl}-L-tyrosine [ACD/IUPAC Name]
3,5-Dibromo-O-{4-hydroxy-3-[(6-oxo-1,6-dihydro-3-pyridazinyl)méthyl]phényl}-L-tyrosine [French] [ACD/IUPAC Name]
L-Tyrosine, 3,5-dibromo-O-[3-[(1,6-dihydro-6-oxo-3-pyridazinyl)methyl]-4-hydroxyphenyl]- [ACD/Index Name]
(S)-2-Amino-3-{3,5-dibromo-4-[4-hydroxy-3-(6-oxo-1,6-dihydro-pyridazin-3-ylmethyl)-phenoxy]-phenyl}-propionic acid
2-Ammonio-3-{3,5-dibromo-4-[4-hydroxy-3-(6-oxo-1,6-dihydro-pyridazin-3-ylmethyl)-phenoxy]-phenyl}-propionic acid anion
skf-94901

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.706
Molar Refractivity: 115.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.51
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.03
Polar Surface Area: 134 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 64.4±7.0 dyne/cm
Molar Volume: 295.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement