ChemSpider 2D Image | Kukoamine B | C28H42N4O6

Kukoamine B

  • Molecular FormulaC28H42N4O6
  • Average mass530.656 Da
  • Monoisotopic mass530.310425 Da
  • ChemSpider ID8522372

More details:

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

164991-67-7 [RN]
Benzenepropanamide, N-[3-[[4-[(3-aminopropyl)[3-(3,4-dihydroxyphenyl)-1-oxopropyl]amino]butyl]amino]propyl]-3,4-dihydroxy- [ACD/Index Name]
Kukoamine B
N-(3-Aminopropyl)-3-(3,4-dihydroxyphenyl)-N-{4-[(3-{[3-(3,4-dihydroxyphenyl)propanoyl]amino}propyl)amino]butyl}propanamid [German] [ACD/IUPAC Name]
N-(3-Aminopropyl)-3-(3,4-dihydroxyphenyl)-N-{4-[(3-{[3-(3,4-dihydroxyphenyl)propanoyl]amino}propyl)amino]butyl}propanamide [ACD/IUPAC Name]
N-(3-Aminopropyl)-3-(3,4-dihydroxyphényl)-N-{4-[(3-{[3-(3,4-dihydroxyphényl)propanoyl]amino}propyl)amino]butyl}propanamide [French] [ACD/IUPAC Name]
N-[3-({4-[N-(3-aminopropyl)-3-(3,4-dihydroxyphenyl)propanamido]butyl}amino)propyl]-3-(3,4-dihydroxyphenyl)propanamide
[164991-67-7] [RN]
C17616
MFCD29904539
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 844.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 126.9±3.0 kJ/mol
    Flash Point: 464.4±34.3 °C
    Index of Refraction: 1.599
    Molar Refractivity: 147.2±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 8
    #Freely Rotating Bonds: 18
    #Rule of 5 Violations: 3
    ACD/LogP: 0.00
    ACD/LogD (pH 5.5): -3.28
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.22
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 168 Å2
    Polarizability: 58.3±0.5 10-24cm3
    Surface Tension: 59.1±3.0 dyne/cm
    Molar Volume: 430.6±3.0 cm3

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