ChemSpider 2D Image | 5-Amino-2-[(3,5-dimethoxyphenyl)(methyl)amino]-4-{[hydroxy(phosphonooxy)phosphoryl]oxy}benzoic acid | C16H20N2O11P2

5-Amino-2-[(3,5-dimethoxyphenyl)(methyl)amino]-4-{[hydroxy(phosphonooxy)phosphoryl]oxy}benzoic acid

  • Molecular FormulaC16H20N2O11P2
  • Average mass478.284 Da
  • Monoisotopic mass478.054230 Da
  • ChemSpider ID34553102

More details:

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

5-Amino-2-[(3,5-dimethoxyphenyl)(methyl)amino]-4-{[hydroxy(phosphonooxy)phosphoryl]oxy}benzoesäure [German] [ACD/IUPAC Name]
5-Amino-2-[(3,5-dimethoxyphenyl)(methyl)amino]-4-{[hydroxy(phosphonooxy)phosphoryl]oxy}benzoic acid [ACD/IUPAC Name]
Acide 5-amino-2-[(3,5-diméthoxyphényl)(méthyl)amino]-4-{[hydroxy(phosphonooxy)phosphoryl]oxy}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-amino-2-[(3,5-dimethoxyphenyl)methylamino]-4-[[hydroxy(phosphonooxy)phosphinyl]oxy]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 808.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.3±3.0 kJ/mol
Flash Point: 442.8±37.1 °C
Index of Refraction: 1.655
Molar Refractivity: 107.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.84
ACD/LogD (pH 5.5): -6.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 81.6±3.0 dyne/cm
Molar Volume: 291.5±3.0 cm3

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