ChemSpider 2D Image | 2-[(4-Formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate | C28H40N2O9

2-[(4-Formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate

  • Molecular FormulaC28H40N2O9
  • Average mass548.625 Da
  • Monoisotopic mass548.273376 Da
  • ChemSpider ID21171714

More details:

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

2-[(4-Formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate [ACD/IUPAC Name]
2-[(4-Formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl-3-methylbutanoat [German] [ACD/IUPAC Name]
211-380-4 [EINECS]
3-Méthylbutanoate de 2-[(4-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-diméthyl-4,9-dioxo-1,5-dioxonan-7-yle [French] [ACD/IUPAC Name]
642-15-9 [RN]
3-(3-formamidosalicylamido)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl isovalerate
Antimycin A 1

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

Density: 1.2±0.1 g/cm3
Boiling Point: 777.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 424.2±32.9 °C
Index of Refraction: 1.546
Molar Refractivity: 141.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2483.40
ACD/KOC (pH 5.5): 9346.27
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1447.63
ACD/KOC (pH 7.4): 5448.15
Polar Surface Area: 157 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 446.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement