ChemSpider 2D Image | (2E,4E,6E)-N-[(1S,5S,6R)-5-Hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-8-methyl-2,4,6-nonatrienamide | C28H30N2O7

(2E,4E,6E)-N-[(1S,5S,6R)-5-Hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-8-methyl-2,4,6-nonatrienamide

  • Molecular FormulaC28H30N2O7
  • Average mass506.547 Da
  • Monoisotopic mass506.205292 Da
  • ChemSpider ID4948227

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E,4E,6E)-N-[(1S,5S,6R)-5-Hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-8-methyl-2,4,6-nonatrienamid [German] [ACD/IUPAC Name]
(2E,4E,6E)-N-[(1S,5S,6R)-5-Hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-8-methyl-2,4,6-nonatrienamide [ACD/IUPAC Name]
(2E,4E,6E)-N-[(1S,5S,6R)-5-Hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopentén-1-yl)amino]-7-oxo-1,3,5-heptatrién-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-én-3-yl]-8-méthyl-2,4,6-nonatriénamide [French] [ACD/IUPAC Name]
2,4,6-Nonatrienamide, N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-8-methyl-, (2E,4E,6E)- [ACD/Index Name]
(2E,4E,6E)-N-[(1S,5S,6R)-5-HYDROXY-5-[(1E,3E,5E)-6-[(2-HYDROXY-5-OXOCYCLOPENT-1-EN-1-YL)CARBAMOYL]HEXA-1,3,5-TRIEN-1-YL]-2-OXO-7-OXABICYCLO[4.1.0]HEPT-3-EN-3-YL]-8-METHYLNONA-2,4,6-TRIENAMIDE
156250-44-1 [RN]
2,4,6-Nonatrienamide, N-(5-hydroxy-5-(7-((2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino)-7-oxo-1,3,5-heptatrienyl)-2-oxo-7-oxabicyclo(4.1.0)hept-3-en-3-yl)-8-methyl-
CID 6444302
Manumycin G

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

Density: 1.3±0.1 g/cm3
Boiling Point: 876.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.7±6.0 kJ/mol
Flash Point: 483.6±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 381.8±5.0 cm3

Click to predict properties on the Chemicalize site


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