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

3-[(3-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 ID12032

More details:






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

3-[(3-Formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate [ACD/IUPAC Name]
3-[(3-Formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl-3-methylbutanoat [German] [ACD/IUPAC Name]
3-Méthylbutanoate de 3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-diméthyl-4,9-dioxo-1,5-dioxonan-7-yle [French] [ACD/IUPAC Name]
3-Methylbutanoic acid 3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester
1397-94-0 [RN]
27220-56-0 [RN]
3-(3-formamidosalicylamido)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl isovalerate
37341-24-5 [RN]
3-methylbutanoic acid [3-[[(3-formamido-2-hydroxyphenyl)-oxomethyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] ester
Animicin A
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C11339 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      H300 H400 LKT Labs [A5378]
      R25 LKT Labs [A5378]
      T LKT Labs [A5378]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 757.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 412.1±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 141.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1456.40
ACD/KOC (pH 5.5): 6375.94
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 795.08
ACD/KOC (pH 7.4): 3480.79
Polar Surface Area: 157 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 447.2±5.0 cm3

Click to predict properties on the Chemicalize site






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