ChemSpider 2D Image | N~2~-[(2E)-2-{[(1E)-2-Amino-1-hydroxy-3-(4-hydroxyphenyl)-1-propen-1-yl]imino}-1-hydroxyethyl]-N-[(1Z)-1-{(E)-[1-(ethylamino)-1-hydroxy-4-(methylsulfanyl)-2-butanylidene]amino}-1-hydroxy-3-phenyl-1-pr open-2-yl]glycinamide | C29H40N6O6S

N2-[(2E)-2-{[(1E)-2-Amino-1-hydroxy-3-(4-hydroxyphenyl)-1-propen-1-yl]imino}-1-hydroxyethyl]-N-[(1Z)-1-{(E)-[1-(ethylamino)-1-hydroxy-4-(methylsulfanyl)-2-butanylidene]amino}-1-hydroxy-3-phenyl-1-pr open-2-yl]glycinamide

  • Molecular FormulaC29H40N6O6S
  • Average mass600.729 Da
  • Monoisotopic mass600.273010 Da
  • ChemSpider ID95776180

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetamide, 2-[[(2E)-2-[[(1E)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)-1-propen-1-yl]imino]-1-hydroxyethyl]amino]-N-[(Z)-2-[[(1E)-1-[(ethylamino)hydroxymethyl]-3-(methylthio)propylidene]amino]-2-hydroxy-1 -(phenylmethyl)ethenyl]- [ACD/Index Name]
N2-[(2E)-2-{[(1E)-2-Amino-1-hydroxy-3-(4-hydroxyphenyl)-1-propen-1-yl]imino}-1-hydroxyethyl]-N-[(1Z)-1-{(E)-[1-(ethylamino)-1-hydroxy-4-(methylsulfanyl)-2-butanyliden]amino}-1-hydroxy-3-phenyl-1-pro pen-2-yl]glycinamid [German] [ACD/IUPAC Name]
N2-[(2E)-2-{[(1E)-2-Amino-1-hydroxy-3-(4-hydroxyphenyl)-1-propen-1-yl]imino}-1-hydroxyethyl]-N-[(1Z)-1-{(E)-[1-(ethylamino)-1-hydroxy-4-(methylsulfanyl)-2-butanylidene]amino}-1-hydroxy-3-phenyl-1-pr open-2-yl]glycinamide [ACD/IUPAC Name]
N2-[(2E)-2-{[(1E)-2-Amino-1-hydroxy-3-(4-hydroxyphényl)-1-propén-1-yl]imino}-1-hydroxyéthyl]-N-[(1Z)-1-{(E)-[1-(éthylamino)-1-hydroxy-4-(méthylsulfanyl)-2-butanylidène]amino}-1-hydroxy-3-phényl-1-pr opén-2-yl]glycinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 869.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.4±3.0 kJ/mol
Flash Point: 479.8±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 160.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 4
ACD/LogP: 7.50
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.65
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.06
Polar Surface Area: 230 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 458.3±7.0 cm3

Click to predict properties on the Chemicalize site


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