ChemSpider 2D Image | (2E)-N-{2-[5,5'-Dihydroxy-3'-(2-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]amino}ethyl)-1H,1'H-4,4'-biindol-3-yl]ethyl}-3-(4-hydroxy-3-methoxyphenyl)acrylamide | C39H36N4O7

(2E)-N-{2-[5,5'-Dihydroxy-3'-(2-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]amino}ethyl)-1H,1'H-4,4'-biindol-3-yl]ethyl}-3-(4-hydroxy-3-methoxyphenyl)acrylamide

  • Molecular FormulaC39H36N4O7
  • Average mass672.726 Da
  • Monoisotopic mass672.258423 Da
  • ChemSpider ID8660024

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-{2-[5,5'-Dihydroxy-3'-(2-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]amino}ethyl)-1H,1'H-4,4'-biindol-3-yl]ethyl}-3-(4-hydroxy-3-methoxyphenyl)acrylamid [German] [ACD/IUPAC Name]
(2E)-N-{2-[5,5'-Dihydroxy-3'-(2-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]amino}ethyl)-1H,1'H-4,4'-biindol-3-yl]ethyl}-3-(4-hydroxy-3-methoxyphenyl)acrylamide [ACD/IUPAC Name]
(2E)-N-{2-[5,5'-Dihydroxy-3'-(2-{[(2E)-3-(4-hydroxyphényl)-2-propenoyl]amino}éthyl)-1H,1'H-4,4'-biindol-3-yl]éthyl}-3-(4-hydroxy-3-méthoxyphényl)acrylamide [French] [ACD/IUPAC Name]
175702-02-0 [RN]
2-Propenamide, N-[2-[5,5'-dihydroxy-3'-[2-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]amino]ethyl][4,4'-bi-1H-indol]-3-yl]ethyl]-3-(4-hydroxy-3-methoxyphenyl)-, (2E)- [ACD/Index Name]
(2E)-3-(4-hydroxy-3-methoxyphenyl)-N-{2-[5-hydroxy-4-(5-hydroxy-3-{2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]ethyl}-1H-indol-4-yl)-1H-indol-3-yl]ethyl}prop-2-enamide
(2E)-N-{2-[5-hydroxy-4-(5-hydroxy-3-{2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]ethyl}-1H-indol-4-yl)-1H-indol-3-yl]ethyl}-3-(4-hydroxyphenyl)prop-2-enamide
4-[N-(p-Coumaroyl)serotonin-4''-yl]-N-feruloylserotonin
Glutathione diethyl ester
Glycine, N-(N-L-γ-glutamyl-L-cysteinyl)-, diethyl ester

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: 1.4±0.1 g/cm3
Boiling Point: 1086.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.0±3.0 kJ/mol
Flash Point: 610.9±34.3 °C
Index of Refraction: 1.756
Molar Refractivity: 196.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 75.96
ACD/KOC (pH 5.5): 771.65
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.78
ACD/KOC (pH 7.4): 759.73
Polar Surface Area: 180 Å2
Polarizability: 77.8±0.5 10-24cm3
Surface Tension: 73.2±3.0 dyne/cm
Molar Volume: 478.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement