ChemSpider 2D Image | [(5-Bromo-6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl][(2Z)-2-{hydroxy[(E)-(2-hydroxyazacyclotridecan-3-ylidene)amino]methylene}-4-methylpentyl]phosphinic acid | C32H43BrN3O7P

[(5-Bromo-6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl][(2Z)-2-{hydroxy[(E)-(2-hydroxyazacyclotridecan-3-ylidene)amino]methylene}-4-methylpentyl]phosphinic acid

  • Molecular FormulaC32H43BrN3O7P
  • Average mass692.578 Da
  • Monoisotopic mass691.202209 Da
  • ChemSpider ID95770180

  • Double-bond stereo - Double-bond stereo

More details:

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

[(5-Brom-6-hydroxy-1,3-dioxo-1H-benzo[de]isochinolin-2(3H)-yl)methyl][(2Z)-2-{hydroxy[(E)-(2-hydroxyazacyclotridecan-3-yliden)amino]methylen}-4-methylpentyl]phosphinsäure [German] [ACD/IUPAC Name]
[(5-Bromo-6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl][(2Z)-2-{hydroxy[(E)-(2-hydroxyazacyclotridecan-3-ylidene)amino]methylene}-4-methylpentyl]phosphinic acid [ACD/IUPAC Name]
Acide [(5-bromo-6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinoléin-2(3H)-yl)méthyl][(2Z)-2-{hydroxy[(E)-(2-hydroxyazacyclotridécan-3-ylidène)amino]méthylène}-4-méthylpentyl]phosphinique [French] [ACD/IUPAC Name]
Phosphinic acid, P-[(5-bromo-6-hydroxy-1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)methyl]-P-[(2Z)-2-[hydroxy[[(3E)-2-hydroxyazacyclotridec-3-ylidene]amino]methylene]-4-methylpentyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 915.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.5±3.0 kJ/mol
Flash Point: 507.5±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 169.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 3.04
ACD/KOC (pH 5.5): 11.17
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.26
Polar Surface Area: 170 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 58.3±7.0 dyne/cm
Molar Volume: 465.0±7.0 cm3

Click to predict properties on the Chemicalize site


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