ChemSpider 2D Image | N~2~-Methyl-N~5~-{N-[(4-methylphenyl)sulfonyl]carbamimidoyl}-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-ornithine | C19H30N4O6S

N2-Methyl-N5-{N-[(4-methylphenyl)sulfonyl]carbamimidoyl}-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-ornithine

  • Molecular FormulaC19H30N4O6S
  • Average mass442.530 Da
  • Monoisotopic mass442.188599 Da
  • ChemSpider ID27471759

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino[[(4-methylphenyl)sulfonyl]amino]methyl]-N2-methyl- [ACD/Index Name]
N2-Methyl-N5-{N-[(4-methylphenyl)sulfonyl]carbamimidoyl}-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-ornithin [German] [ACD/IUPAC Name]
N2-Methyl-N5-{N-[(4-methylphenyl)sulfonyl]carbamimidoyl}-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-ornithine [ACD/IUPAC Name]
N2-Méthyl-N5-{N-[(4-méthylphényl)sulfonyl]carbamimidoyl}-N2-{[(2-méthyl-2-propanyl)oxy]carbonyl}-D-ornithine [French] [ACD/IUPAC Name]
(E)-N5-{Amino[(4-methylbenzene-1-sulfonyl)amino]methylidene}-N2-(tert-butoxycarbonyl)-N2-methyl-D-ornithine
(R)-2-((tert-butoxycarbonyl)(methyl)amino)-5-(3-tosylguanidino)pentanoic acid
[136642-84-7] [RN]
108695-16-5 [RN]
136642-84-7 [RN]
Boc-D-Me-Arg(Tos)-OH
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 593.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.0±3.0 kJ/mol
    Flash Point: 312.4±32.9 °C
    Index of Refraction: 1.565
    Molar Refractivity: 112.8±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 2.43
    ACD/LogD (pH 5.5): 0.26
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.09
    ACD/LogD (pH 7.4): -1.25
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 157 Å2
    Polarizability: 44.7±0.5 10-24cm3
    Surface Tension: 47.3±7.0 dyne/cm
    Molar Volume: 346.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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