ChemSpider 2D Image | (2E,4E,6E)-N-[(3S,4R)-3,4-Dihydroxy-3-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}-6-oxo-1-cyclohexen-1-yl]-10-methyl-2,4,6-undecatrienamide | C30H36N2O7

(2E,4E,6E)-N-[(3S,4R)-3,4-Dihydroxy-3-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}-6-oxo-1-cyclohexen-1-yl]-10-methyl-2,4,6-undecatrienamide

  • Molecular FormulaC30H36N2O7
  • Average mass536.616 Da
  • Monoisotopic mass536.252258 Da
  • ChemSpider ID78440168

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E,4E,6E)-N-[(3S,4R)-3,4-Dihydroxy-3-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}-6-oxo-1-cyclohexen-1-yl]-10-methyl-2,4,6-undecatrienamid [German] [ACD/IUPAC Name]
(2E,4E,6E)-N-[(3S,4R)-3,4-Dihydroxy-3-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}-6-oxo-1-cyclohexen-1-yl]-10-methyl-2,4,6-undecatrienamide [ACD/IUPAC Name]
(2E,4E,6E)-N-[(3S,4R)-3,4-Dihydroxy-3-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopentén-1-yl)amino]-7-oxo-1,3,5-heptatrién-1-yl}-6-oxo-1-cyclohexén-1-yl]-10-méthyl-2,4,6-undécatriénamide [French] [ACD/IUPAC Name]
2,4,6-Undecatrienamide, N-[(3S,4R)-3,4-dihydroxy-3-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl]-6-oxo-1-cyclohexen-1-yl]-10-methyl-, (2E,4E,6E)- [ACD/Index Name]
Asukamycin E-II

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

Density: 1.3±0.1 g/cm3
Boiling Point: 827.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.9±6.0 kJ/mol
Flash Point: 454.4±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.59
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.88
ACD/LogD (pH 7.4): -2.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 423.4±5.0 cm3

Click to predict properties on the Chemicalize site


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