ChemSpider 2D Image | [(N-{2-[3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-(hydroxyamino)-1-oxo-2-propanyl]-4-methylpentanoyl}phenylalanyl)amino]methanesulfonic acid | C27H32N4O9S

[(N-{2-[3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-(hydroxyamino)-1-oxo-2-propanyl]-4-methylpentanoyl}phenylalanyl)amino]methanesulfonic acid

  • Molecular FormulaC27H32N4O9S
  • Average mass588.629 Da
  • Monoisotopic mass588.189026 Da
  • ChemSpider ID8342834

More details:

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

[(N-{2-[3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-(hydroxyamino)-1-oxo-2-propanyl]-4-methylpentanoyl}phenylalanyl)amino]methanesulfonic acid [ACD/IUPAC Name]
[(N-{2-[3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-(hydroxyamino)-1-oxo-2-propanyl]-4-methylpentanoyl}phenylalanyl)amino]methansulfonsäure [German] [ACD/IUPAC Name]
Acide [(N-{2-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-(hydroxyamino)-1-oxo-2-propanyl]-4-méthylpentanoyl}phénylalanyl)amino]méthanesulfonique [French] [ACD/IUPAC Name]
Methanesulfonic acid, 1-[[2-[[2-[1-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]- [ACD/Index Name]

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: 1.617
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.24
ACD/LogD (pH 5.5): -3.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 65.8±3.0 dyne/cm
Molar Volume: 417.8±3.0 cm3

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