ChemSpider 2D Image | N-(5,5,5-~2~H_3_)Pentanoyl-N-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-D-valine | C24H26D3N5O3

N-(5,5,5-2H3)Pentanoyl-N-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-D-valine

  • Molecular FormulaC24H26D3N5O3
  • Average mass438.537 Da
  • Monoisotopic mass438.245880 Da
  • ChemSpider ID76920540

  • 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

D-Valine, N-(1-oxopentyl-5,5,5-d3)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- [ACD/Index Name]
N-(5,5,5-2H3)Pentanoyl-N-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-D-valin [German] [ACD/IUPAC Name]
N-(5,5,5-2H3)Pentanoyl-N-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-D-valine [ACD/IUPAC Name]
N-(5,5,5-2H3)Pentanoyl-N-{[2'-(1H-tétrazol-5-yl)-4-biphénylyl]méthyl}-D-valine [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: 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): 0.29
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


Advertisement