ChemSpider 2D Image | (2S,4S)-1-(N~5~-[Amino(iminio)methyl]-N~2~-{[(3R)-3-methyl-1,2,3,4-tetrahydro-8-quinolinyl]sulfonyl}-L-ornithyl)-4-methyl-2-piperidinecarboxylate | C23H36N6O5S

(2S,4S)-1-(N5-[Amino(iminio)methyl]-N2-{[(3R)-3-methyl-1,2,3,4-tetrahydro-8-quinolinyl]sulfonyl}-L-ornithyl)-4-methyl-2-piperidinecarboxylate

  • Molecular FormulaC23H36N6O5S
  • Average mass508.634 Da
  • Monoisotopic mass508.246796 Da
  • ChemSpider ID62339674

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,4S)-1-(N5-[Amino(iminio)methyl]-N2-{[(3R)-3-methyl-1,2,3,4-tetrahydro-8-chinolinyl]sulfonyl}-L-ornithyl)-4-methyl-2-piperidincarboxylat [German] [ACD/IUPAC Name]
(2S,4S)-1-(N5-[Amino(iminio)méthyl]-N2-{[(3R)-3-méthyl-1,2,3,4-tétrahydro-8-quinoléinyl]sulfonyl}-L-ornithyl)-4-méthyl-2-pipéridinecarboxylate [French] [ACD/IUPAC Name]
(2S,4S)-1-(N5-[Amino(iminio)methyl]-N2-{[(3R)-3-methyl-1,2,3,4-tetrahydro-8-quinolinyl]sulfonyl}-L-ornithyl)-4-methyl-2-piperidinecarboxylate [ACD/IUPAC Name]
Methaniminium, 1-amino-1-[[(4S)-5-[(2S,4S)-2-carboxy-4-methyl-1-piperidinyl]-5-oxo-4-[[[(3R)-1,2,3,4-tetrahydro-3-methyl-8-quinolinyl]sulfonyl]amino]pentyl]amino]-, inner salt [ACD/Index Name]

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

Density:
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:
Molar Refractivity:
#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: 191 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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