ChemSpider 2D Image | Methyl 4-bromo-N-[8-(hydroxyamino)-8-oxooctanoyl]-L-phenylalaninate | C18H25BrN2O5

Methyl 4-bromo-N-[8-(hydroxyamino)-8-oxooctanoyl]-L-phenylalaninate

  • Molecular FormulaC18H25BrN2O5
  • Average mass429.306 Da
  • Monoisotopic mass428.094666 Da
  • ChemSpider ID23319843

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Bromo-N-[8-(hydroxyamino)-8-oxooctanoyl]-L-phénylalaninate de méthyle [French] [ACD/IUPAC Name]
L-Phenylalanine, 4-bromo-N-[8-(hydroxyamino)-1,8-dioxooctyl]-, methyl ester [ACD/Index Name]
Methyl 4-bromo-N-[8-(hydroxyamino)-8-oxooctanoyl]-L-phenylalaninate [ACD/IUPAC Name]
Methyl-4-brom-N-[8-(hydroxyamino)-8-oxooctanoyl]-L-phenylalaninat [German] [ACD/IUPAC Name]
(S)-3-(4-bromo-phenyl)-2-(7-hydroxycarbamoylheptanoylamino)-propionic acid methyl ester
methyl (2S)-3-(4-bromophenyl)-2-[7-(hydroxycarbamoyl)heptanamido]propanoate
S17

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: 1.546
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.55
ACD/KOC (pH 5.5): 224.78
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.44
ACD/KOC (pH 7.4): 222.93
Polar Surface Area: 105 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 316.7±3.0 cm3

Click to predict properties on the Chemicalize site


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