ChemSpider 2D Image | 2-{[(1E)-2-{[(1Z)-2-{[(1E)-2-Amino-1-hydroxy-3-(4-hydroxyphenyl)-1-propen-1-yl]amino}-1-hydroxy-1-propen-1-yl]amino}-1-hydroxy-3-phenyl-1-propen-1-yl]amino}-N-[(1Z)-1-{[(1Z)-1-{[(Z)-2-amino-2-hydroxyv inyl]amino}-1-hydroxy-3-methyl-1-buten-2-yl]amino}-1-hydroxy-3-methyl-1-buten-2-yl]-4,4-dihydroxy-3-butenamide | C37H52N8O10

2-{[(1E)-2-{[(1Z)-2-{[(1E)-2-Amino-1-hydroxy-3-(4-hydroxyphenyl)-1-propen-1-yl]amino}-1-hydroxy-1-propen-1-yl]amino}-1-hydroxy-3-phenyl-1-propen-1-yl]amino}-N-[(1Z)-1-{[(1Z)-1-{[(Z)-2-amino-2-hydroxyv inyl]amino}-1-hydroxy-3-methyl-1-buten-2-yl]amino}-1-hydroxy-3-methyl-1-buten-2-yl]-4,4-dihydroxy-3-butenamide

  • Molecular FormulaC37H52N8O10
  • Average mass768.856 Da
  • Monoisotopic mass768.380615 Da
  • ChemSpider ID95594881

More details:

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

2-{[(1E)-2-{[(1Z)-2-{[(1E)-2-Amino-1-hydroxy-3-(4-hydroxyphenyl)-1-propen-1-yl]amino}-1-hydroxy-1-propen-1-yl]amino}-1-hydroxy-3-phenyl-1-propen-1-yl]amino}-N-[(1Z)-1-{[(1Z)-1-{[(Z)-2-amino-2-hydroxyv inyl]amino}-1-hydroxy-3-methyl-1-buten-2-yl]amino}-1-hydroxy-3-methyl-1-buten-2-yl]-4,4-dihydroxy-3-butenamid [German] [ACD/IUPAC Name]
2-{[(1E)-2-{[(1Z)-2-{[(1E)-2-Amino-1-hydroxy-3-(4-hydroxyphenyl)-1-propen-1-yl]amino}-1-hydroxy-1-propen-1-yl]amino}-1-hydroxy-3-phenyl-1-propen-1-yl]amino}-N-[(1Z)-1-{[(1Z)-1-{[(Z)-2-amino-2-hydroxyv inyl]amino}-1-hydroxy-3-methyl-1-buten-2-yl]amino}-1-hydroxy-3-methyl-1-buten-2-yl]-4,4-dihydroxy-3-butenamide [ACD/IUPAC Name]
2-{[(1E)-2-{[(1Z)-2-{[(1E)-2-Amino-1-hydroxy-3-(4-hydroxyphényl)-1-propén-1-yl]amino}-1-hydroxy-1-propén-1-yl]amino}-1-hydroxy-3-phényl-1-propén-1-yl]amino}-N-[(1Z)-1-{[(1Z)-1-{[(Z)-2-amino-2-hydroxyv inyl]amino}-1-hydroxy-3-méthyl-1-butén-2-yl]amino}-1-hydroxy-3-méthyl-1-butén-2-yl]-4,4-dihydroxy-3-buténamide [French] [ACD/IUPAC Name]
3-Butenamide, N-[(1Z)-1-[[[(1Z)-1-[[[(Z)-2-amino-2-hydroxyethenyl]amino]hydroxymethylene]-2-methylpropyl]amino]hydroxymethylene]-2-methylpropyl]-2-[[(1E)-2-[[(1Z)-2-[[(1E)-2-amino-1-hydroxy-3-(4-hydro xyphenyl)-1-propen-1-yl]amino]-1-hydroxy-1-propen-1-yl]amino]-1-hydroxy-3-phenyl-1-propen-1-yl]amino]-4,4-dihydroxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1105.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 170.3±3.0 kJ/mol
Flash Point: 622.6±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 208.1±0.3 cm3
#H bond acceptors: 18
#H bond donors: 19
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 2.82
ACD/LogD (pH 5.5): -3.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 323 Å2
Polarizability: 82.5±0.5 10-24cm3
Surface Tension: 71.7±3.0 dyne/cm
Molar Volume: 552.5±3.0 cm3

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