ChemSpider 2D Image | N-(3-Carboxypropanoyl)-L-leucyl-L-leucyl-N-[(2S)-1-(4-hydroxyphenyl)-3,4-dioxo-2-butanyl]-L-valinamide | C31H46N4O9

N-(3-Carboxypropanoyl)-L-leucyl-L-leucyl-N-[(2S)-1-(4-hydroxyphenyl)-3,4-dioxo-2-butanyl]-L-valinamide

  • Molecular FormulaC31H46N4O9
  • Average mass618.718 Da
  • Monoisotopic mass618.326477 Da
  • ChemSpider ID9933245

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Valinamide, N-(3-carboxy-1-oxopropyl)-L-leucyl-L-leucyl-N-[(1S)-1-[(4-hydroxyphenyl)methyl]-2,3-dioxopropyl]- [ACD/Index Name]
N-(3-Carboxypropanoyl)-L-leucyl-L-leucyl-N-[(2S)-1-(4-hydroxyphenyl)-3,4-dioxo-2-butanyl]-L-valinamid [German] [ACD/IUPAC Name]
N-(3-Carboxypropanoyl)-L-leucyl-L-leucyl-N-[(2S)-1-(4-hydroxyphenyl)-3,4-dioxo-2-butanyl]-L-valinamide [ACD/IUPAC Name]
N-(3-Carboxypropanoyl)-L-leucyl-L-leucyl-N-[(2S)-1-(4-hydroxyphényl)-3,4-dioxo-2-butanyl]-L-valinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 958.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.1±3.0 kJ/mol
Flash Point: 533.3±34.3 °C
Index of Refraction: 1.534
Molar Refractivity: 160.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 2.68
ACD/KOC (pH 5.5): 39.88
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 515.8±3.0 cm3

Click to predict properties on the Chemicalize site


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