ChemSpider 2D Image | N-Pentanoyl-N-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-L-(~2~H_9_)valine | C24H20D9N5O3

N-Pentanoyl-N-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-L-(2H9)valine

  • Molecular FormulaC24H20D9N5O3
  • Average mass444.574 Da
  • Monoisotopic mass444.283539 Da
  • ChemSpider ID58791362

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

L-Valine-d9, N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- [ACD/Index Name]
N-Pentanoyl-N-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-L-(2H9)valin [German] [ACD/IUPAC Name]
N-Pentanoyl-N-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-L-(2H9)valine [ACD/IUPAC Name]
N-Pentanoyl-N-{[2'-(1H-tétrazol-5-yl)-4-biphénylyl]méthyl}-L-(2H9)valine [French] [ACD/IUPAC Name]
1089736-73-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 684.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 368.0±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 120.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 359.1±3.0 cm3

Click to predict properties on the Chemicalize site


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