ChemSpider 2D Image | N-{6-Formyl-10-hydroxy-7-(2-hydroxy-3-methylbutanoyl)-3,8,8,11-tetramethyl-4-(methylamino)-7-[3-methyl-2-(methylamino)pentanoyl]-5,9-dioxo-1-dodecen-6-yl}-2-hydroxy-N,3-dimethylbutanamide | C36H63N3O9

N-{6-Formyl-10-hydroxy-7-(2-hydroxy-3-methylbutanoyl)-3,8,8,11-tetramethyl-4-(methylamino)-7-[3-methyl-2-(methylamino)pentanoyl]-5,9-dioxo-1-dodecen-6-yl}-2-hydroxy-N,3-dimethylbutanamide

  • Molecular FormulaC36H63N3O9
  • Average mass681.900 Da
  • Monoisotopic mass681.456421 Da
  • ChemSpider ID57522863

More details:

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

N-{6-Formyl-10-hydroxy-7-(2-hydroxy-3-methylbutanoyl)-3,8,8,11-tetramethyl-4-(methylamino)-7-[3-methyl-2-(methylamino)pentanoyl]-5,9-dioxo-1-dodecen-6-yl}-2-hydroxy-N,3-dimethylbutanamid [German] [ACD/IUPAC Name]
N-{6-Formyl-10-hydroxy-7-(2-hydroxy-3-methylbutanoyl)-3,8,8,11-tetramethyl-4-(methylamino)-7-[3-methyl-2-(methylamino)pentanoyl]-5,9-dioxo-1-dodecen-6-yl}-2-hydroxy-N,3-dimethylbutanamide [ACD/IUPAC Name]
N-{6-Formyl-10-hydroxy-7-(2-hydroxy-3-méthylbutanoyl)-3,8,8,11-tétraméthyl-4-(méthylamino)-7-[3-méthyl-2-(méthylamino)pentanoyl]-5,9-dioxo-1-dodécén-6-yl}-2-hydroxy-N,3-diméthylbutanamide [French] [ACD/IUPAC Name]
2-HYDROXY-N-[6-HYDROXY-3-(2-HYDROXY-3-METHYLBUTANOYL)-4,4,7-TRIMETHYL-2-[3-METHYL-2-(METHYLAMINO)PENT-4-ENOYL]-3-[3-METHYL-2-(METHYLAMINO)PENTANOYL]-1,5-DIOXOOCTAN-2-YL]-N,3-DIMETHYLBUTANAMIDE
Enniatin F

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

Density: 1.1±0.1 g/cm3
Boiling Point: 800.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.6±6.0 kJ/mol
Flash Point: 438.0±34.3 °C
Index of Refraction: 1.503
Molar Refractivity: 183.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 4
ACD/LogP: 16.57
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 69769.27
ACD/KOC (pH 5.5): 29405.60
ACD/LogD (pH 7.4): 9.09
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1893374.25
Polar Surface Area: 190 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 622.1±3.0 cm3

Click to predict properties on the Chemicalize site


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