ChemSpider 2D Image | N-[(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetyl]-D-valine | C11H12Cl2N2O5

N-[(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetyl]-D-valine

  • Molecular FormulaC11H12Cl2N2O5
  • Average mass323.129 Da
  • Monoisotopic mass322.012329 Da
  • ChemSpider ID113598767

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Valine, N-[2-(3,4-dichloro-2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)acetyl]- [ACD/Index Name]
N-[(3,4-Dichlor-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetyl]-D-valin [German] [ACD/IUPAC Name]
N-[(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetyl]-D-valine [ACD/IUPAC Name]
N-[2-(3,4-Dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acétyl]-D-valine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 524.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 87.4±6.0 kJ/mol
Flash Point: 271.1±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 69.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): -1.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 208.8±5.0 cm3

Click to predict properties on the Chemicalize site


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