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:



Featured data source



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]
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]
N1-{5-[(N-{4-[(3-Aminopropyl)amino]butyl}-β-alanyl)amino]pentyl}-N2-[(2,4-dihydroxyphenyl)acetyl]-L-aspartamid [German] [ACD/IUPAC Name]
N1-{5-[(N-{4-[(3-Aminopropyl)amino]butyl}-β-alanyl)amino]pentyl}-N2-[(2,4-dihydroxyphenyl)acetyl]-L-aspartamide [ACD/IUPAC Name]
More...

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

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





Feedback Form