ChemSpider 2D Image | (2S,2'S)-2,2'-[1,4-Piperazinediylbis(carbonylimino)]bis(3-phenylpropanoic acid) | C24H28N4O6

(2S,2'S)-2,2'-[1,4-Piperazinediylbis(carbonylimino)]bis(3-phenylpropanoic acid)

  • Molecular FormulaC24H28N4O6
  • Average mass468.502 Da
  • Monoisotopic mass468.200897 Da
  • ChemSpider ID21830552

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,2'S)-2,2'-[1,4-Piperazindiylbis(carbonylimino)]bis(3-phenylpropansäure) [German] [ACD/IUPAC Name]
(2S,2'S)-2,2'-[1,4-Piperazinediylbis(carbonylimino)]bis(3-phenylpropanoic acid) [ACD/IUPAC Name]
Acide (2S,2'S)-2,2'-[1,4-pipérazinediylbis(carbonylimino)]bis(3-phénylpropanoïque) [French] [ACD/IUPAC Name]
(2S)-2-({4-[N-((1S)-1-carboxy-2-phenylethyl)carbamoyl]piperazinyl}carbonylamino)-3-phenylpropanoic acid
(2S)-2-[[4-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]piperazine-1-carbonyl]amino]-3-phenylpropanoic acid
(2S,2'S)-2,2'-((piperazine-1,4-dicarbonyl)bis(azanediyl))bis(3-phenylpropanoic acid)
(2S,2'S)-2,2'-[piperazine-1,4-diylbis(carbonylimino)]bis(3-phenylpropanoic acid) (non-preferred name)
1013981-86-6 [RN]
2-{[4-(1-Carboxy-2-phenyl-ethylcarbamoyl)-piperazine-1-carbonyl]-amino}-3-phenyl-propionic acid

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 841.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 128.2±3.0 kJ/mol
    Flash Point: 462.7±34.3 °C
    Index of Refraction: 1.621
    Molar Refractivity: 121.7±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 2.86
    ACD/LogD (pH 5.5): -1.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.47
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 139 Å2
    Polarizability: 48.3±0.5 10-24cm3
    Surface Tension: 66.5±3.0 dyne/cm
    Molar Volume: 346.1±3.0 cm3

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