ChemSpider 2D Image | 4-{(2R,5S,6E)-2-hydroxy-5-methyl-7-[(2R,3S,4E,6Z,10E)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-en-1-yl}piperidine-2,6-dione | C26H35NO6

4-{(2R,5S,6E)-2-hydroxy-5-methyl-7-[(2R,3S,4E,6Z,10E)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-en-1-yl}piperidine-2,6-dione

  • Molecular FormulaC26H35NO6
  • Average mass457.559 Da
  • Monoisotopic mass457.246429 Da
  • ChemSpider ID65321502

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2(3H)-Pyridinone, 4,5-dihydro-6-hydroxy-4-[(2R,5S,6E)-2-hydroxy-5-methyl-7-[(2R,3S,4Z,6Z,10E)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxo-6-octen-1-yl]- [ACD/Index Name]
4-{(2R,5S,6E)-2-hydroxy-5-methyl-7-[(2R,3S,4E,6Z,10E)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-en-1-yl}piperidine-2,6-dione
6-Hydroxy-4-{(2R,5S,6E)-2-hydroxy-5-methyl-7-[(2R,3S,4Z,6Z,10E)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxo-6-octen-1-yl}-4,5-dihydro-2(3H)-pyridinon [German] [ACD/IUPAC Name]
6-Hydroxy-4-{(2R,5S,6E)-2-hydroxy-5-methyl-7-[(2R,3S,4Z,6Z,10E)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxo-6-octen-1-yl}-4,5-dihydro-2(3H)-pyridinone [ACD/IUPAC Name]
6-Hydroxy-4-{(2R,5S,6E)-2-hydroxy-5-méthyl-7-[(2R,3S,4Z,6Z,10E)-3-méthyl-12-oxooxacyclododéca-4,6,10-trién-2-yl]-4-oxo-6-octén-1-yl}-4,5-dihydro-2(3H)-pyridinone [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 691.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.9±6.0 kJ/mol
Flash Point: 372.2±34.3 °C
Index of Refraction: 1.559
Molar Refractivity: 125.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 12.09
ACD/KOC (pH 5.5): 166.48
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.29
Polar Surface Area: 113 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 388.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement