ChemSpider 2D Image | N(1),N(8)-bis(sinapoyl)-spermidine | C29H39N3O8

N(1),N(8)-bis(sinapoyl)-spermidine

  • Molecular FormulaC29H39N3O8
  • Average mass557.635 Da
  • Monoisotopic mass557.273743 Da
  • ChemSpider ID34999642

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-N-{3-[(4-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]amino}butyl)amino]propyl}acrylamid [German] [ACD/IUPAC Name]
(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-N-{3-[(4-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]amino}butyl)amino]propyl}acrylamide [ACD/IUPAC Name]
(2E)-3-(4-Hydroxy-3,5-diméthoxyphényl)-N-{3-[(4-{[(2E)-3-(4-hydroxy-3,5-diméthoxyphényl)-2-propenoyl]amino}butyl)amino]propyl}acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 3-(4-hydroxy-3,5-dimethoxyphenyl)-N-[3-[[4-[[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]amino]butyl]amino]propyl]-, (2E)- [ACD/Index Name]
N(1),N(8)-bis(sinapoyl)-spermidine
C21170
N1,N10-Disinapoyl spermidine
N1,N8-Bis(sinapoyl)spermidine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 839.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.2±3.0 kJ/mol
Flash Point: 461.6±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 156.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -1.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 461.4±3.0 cm3

Click to predict properties on the Chemicalize site


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