ChemSpider 2D Image | hyoscyamide | C36H36N2O8

hyoscyamide

  • Molecular FormulaC36H36N2O8
  • Average mass624.680 Da
  • Monoisotopic mass624.247192 Da
  • ChemSpider ID4481104

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,3Z)-2,3-Bis(4-hydroxy-3-methoxybenzyliden)-N,N'-bis[2-(4-hydroxyphenyl)ethyl]succinamid [German] [ACD/IUPAC Name]
(2Z,3Z)-2,3-Bis(4-hydroxy-3-methoxybenzylidene)-N,N'-bis[2-(4-hydroxyphenyl)ethyl]succinamide [ACD/IUPAC Name]
(2Z,3Z)-2,3-Bis(4-hydroxy-3-méthoxybenzylidène)-N,N'-bis[2-(4-hydroxyphényl)éthyl]succinamide [French] [ACD/IUPAC Name]
Butanediamide, 2,3-bis[(4-hydroxy-3-methoxyphenyl)methylene]-N1,N4-bis[2-(4-hydroxyphenyl)ethyl]-, (2Z,3Z)- [ACD/Index Name]
hyoscyamide
2,3-Bis-(4-hydroxy-3-methoxy-benzylidene)-N,N'-bis-[2-(4-hydroxy-phenyl)-ethyl]-succinamide
butanediamide, 2,3-bis[(4-hydroxy-3-methoxyphenyl)methylene]-N,N'-bis[2-(4-hydroxyphenyl)ethyl]-, (2Z,3Z)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 958.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.4±3.0 kJ/mol
Flash Point: 533.7±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 177.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 326.19
ACD/KOC (pH 5.5): 2191.36
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 319.44
ACD/KOC (pH 7.4): 2146.00
Polar Surface Area: 158 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 472.9±3.0 cm3

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