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-~13~C)-1,3,5-heptatrien-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl}-9-methyl-2,4,6-decatrienam ide | C2813CH32N2O7

(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(1-13C)-1,3,5-heptatrien-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl}-9-methyl-2,4,6-decatrienam ide

  • Molecular FormulaC2813CH32N2O7
  • Average mass521.566 Da
  • Monoisotopic mass521.224304 Da
  • ChemSpider ID8967417

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

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(1-13C)-1,3,5-heptatrien-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl}-9-methyl-2,4,6-decatrienam id [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(1-13C)-1,3,5-heptatrien-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl}-9-methyl-2,4,6-decatrienam ide [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(1-13C)-1,3,5-heptatrién-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-én-3-yl}-9-méthyl-2,4,6-décatriénam ide [French] [ACD/IUPAC Name]
2,4,6-Decatrienamide, 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-1-13C]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-9-methyl-, (2E,4 E,6E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.629
Molar Refractivity: 141.3±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 397.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement