ChemSpider 2D Image | Joro toxin | C27H47N7O6

Joro toxin

  • Molecular FormulaC27H47N7O6
  • Average mass565.705 Da
  • Monoisotopic mass565.358765 Da
  • ChemSpider ID106778

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1Z,2S)-N1-(5-{(E)-[3-({4-[(3-Aminopropyl)amino]butyl}amino)-1-hydroxypropyliden]amino}pentyl)-2-{(Z)-[2-(2,4-dihydroxyphenyl)-1-hydroxyethyliden]amino}butandiimidsäure [German] [ACD/IUPAC Name]
(1Z,2S)-N1-(5-{(E)-[3-({4-[(3-Aminopropyl)amino]butyl}amino)-1-hydroxypropylidene]amino}pentyl)-2-{(Z)-[2-(2,4-dihydroxyphenyl)-1-hydroxyethylidene]amino}butanediimidic acid [ACD/IUPAC Name]
(2S)-N1-[5-[[3-[[4-[(3-Aminopropyl)amino]butyl]amino]-1-oxopropyl]amino]pentyl]-2-[2-[(2,4-dihydroxyphenyl)acetyl]amino]butanediamide
112163-33-4 [RN]
Acide (1Z,2S)-N1-(5-{(E)-[3-({4-[(3-aminopropyl)amino]butyl}amino)-1-hydroxypropylidène]amino}pentyl)-2-{(Z)-[2-(2,4-dihydroxyphényl)-1-hydroxyéthylidène]amino}butanediimidique [French] [ACD/IUPAC Name]
Butanediimidic acid, N1-[5-[[(1E)-3-[[4-[(3-aminopropyl)amino]butyl]amino]-1-hydroxypropylidene]amino]pentyl]-2-[[(1Z)-2-(2,4-dihydroxyphenyl)-1-hydroxyethylidene]amino]-, (1Z,2S)- [ACD/Index Name]
Joro spider toxin
Joro toxin [Wiki]
JSTX-3
L-Aspartamide, N1-[5-[[3-[[4-[(3-aminopropyl)amino]butyl]amino]-1-oxopropyl]amino]pentyl]-N2-[2-(2,4-dihydroxyphenyl)acetyl]- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C13931 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 850.5±75.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 127.8±3.0 kJ/mol
    Flash Point: 468.2±37.1 °C
    Index of Refraction: 1.593
    Molar Refractivity: 148.6±0.5 cm3
    #H bond acceptors: 13
    #H bond donors: 11
    #Freely Rotating Bonds: 23
    #Rule of 5 Violations: 3
    ACD/LogP: 0.23
    ACD/LogD (pH 5.5): -6.63
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.65
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 232 Å2
    Polarizability: 58.9±0.5 10-24cm3
    Surface Tension: 54.0±7.0 dyne/cm
    Molar Volume: 438.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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