ChemSpider 2D Image | [1-{[(1E)-1-Hydroxy-1-{[(1E)-1-hydroxy-3-methyl-2-(methylamino)-1-buten-1-yl]amino}-3-phenyl-1-propen-2-yl]amino}-2-(4-hydroxyphenyl)ethyl]phosphonic acid | C23H32N3O6P

[1-{[(1E)-1-Hydroxy-1-{[(1E)-1-hydroxy-3-methyl-2-(methylamino)-1-buten-1-yl]amino}-3-phenyl-1-propen-2-yl]amino}-2-(4-hydroxyphenyl)ethyl]phosphonic acid

  • Molecular FormulaC23H32N3O6P
  • Average mass477.490 Da
  • Monoisotopic mass477.202881 Da
  • ChemSpider ID95581842

More details:

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

[1-{[(1E)-1-Hydroxy-1-{[(1E)-1-hydroxy-3-methyl-2-(methylamino)-1-buten-1-yl]amino}-3-phenyl-1-propen-2-yl]amino}-2-(4-hydroxyphenyl)ethyl]phosphonic acid [ACD/IUPAC Name]
[1-{[(1E)-1-Hydroxy-1-{[(1E)-1-hydroxy-3-methyl-2-(methylamino)-1-buten-1-yl]amino}-3-phenyl-1-propen-2-yl]amino}-2-(4-hydroxyphenyl)ethyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [1-{[(1E)-1-hydroxy-1-{[(1E)-1-hydroxy-3-méthyl-2-(méthylamino)-1-butén-1-yl]amino}-3-phényl-1-propén-2-yl]amino}-2-(4-hydroxyphényl)éthyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [1-[[(E)-2-hydroxy-2-[[(1E)-1-hydroxy-3-methyl-2-(methylamino)-1-buten-1-yl]amino]-1-(phenylmethyl)ethenyl]amino]-2-(4-hydroxyphenyl)ethyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 784.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 428.1±35.7 °C
Index of Refraction: 1.629
Molar Refractivity: 127.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.31
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 357.7±3.0 cm3

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