ChemSpider 2D Image | (2R,4R)-4-Methyl-1-(N~2~-{[3-(~2~H_3_)methyl-1,2,3,4-tetrahydro-8-quinolinyl]sulfonyl}-L-arginyl)-2-piperidinecarboxylic acid | C23H33D3N6O5S

(2R,4R)-4-Methyl-1-(N2-{[3-(2H3)methyl-1,2,3,4-tetrahydro-8-quinolinyl]sulfonyl}-L-arginyl)-2-piperidinecarboxylic acid

  • Molecular FormulaC23H33D3N6O5S
  • Average mass511.653 Da
  • Monoisotopic mass511.265625 Da
  • ChemSpider ID58781993

  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R,4R)-4-Methyl-1-(N2-{[3-(2H3)methyl-1,2,3,4-tetrahydro-8-chinolinyl]sulfonyl}-L-arginyl)-2-piperidincarbonsäure [German] [ACD/IUPAC Name]
(2R,4R)-4-Methyl-1-(N2-{[3-(2H3)methyl-1,2,3,4-tetrahydro-8-quinolinyl]sulfonyl}-L-arginyl)-2-piperidinecarboxylic acid [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-[(2S)-5-[(aminoiminomethyl)amino]-1-oxo-2-[[[1,2,3,4-tetrahydro-3-(methyl-d3)-8-quinolinyl]sulfonyl]amino]pentyl]-4-methyl-, (2R,4R)- [ACD/Index Name]
Acide (2R,4R)-4-méthyl-1-(N2-{[3-(2H3)méthyl-1,2,3,4-tétrahydro-8-quinoléinyl]sulfonyl}-L-arginyl)-2-pipéridinecarboxylique [French] [ACD/IUPAC Name]
1356847-56-7 [RN]
Argatroban-d3

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 777.2±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 118.6±3.0 kJ/mol
    Flash Point: 423.8±35.7 °C
    Index of Refraction: 1.674
    Molar Refractivity: 129.8±0.5 cm3
    #H bond acceptors: 11
    #H bond donors: 7
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 3
    ACD/LogP: 2.06
    ACD/LogD (pH 5.5): -0.77
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.78
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 186 Å2
    Polarizability: 51.5±0.5 10-24cm3
    Surface Tension: 61.7±7.0 dyne/cm
    Molar Volume: 345.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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