ChemSpider 2D Image | 4-{(2R,5S,6E)-2-Hydroxy-5-methyl-7-[(3S,4Z,6E,10E)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxo-6-octen-1-yl}-2,6-piperidinedione | C26H35NO6

4-{(2R,5S,6E)-2-Hydroxy-5-methyl-7-[(3S,4Z,6E,10E)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxo-6-octen-1-yl}-2,6-piperidinedione

  • Molecular FormulaC26H35NO6
  • Average mass457.559 Da
  • Monoisotopic mass457.246429 Da
  • ChemSpider ID28288262

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

2,6-Piperidinedione, 4-[(2R,5S,6E)-2-hydroxy-5-methyl-7-[(3S,4Z,6E,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-[(3S,4Z,6E,10E)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxo-6-octen-1-yl}-2,6-piperidindion [German] [ACD/IUPAC Name]
4-{(2R,5S,6E)-2-Hydroxy-5-methyl-7-[(3S,4Z,6E,10E)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxo-6-octen-1-yl}-2,6-piperidinedione [ACD/IUPAC Name]
4-{(2R,5S,6E)-2-Hydroxy-5-méthyl-7-[(3S,4Z,6E,10E)-3-méthyl-12-oxooxacyclododéca-4,6,10-trién-2-yl]-4-oxo-6-octén-1-yl}-2,6-pipéridinedione [French] [ACD/IUPAC Name]
Lactimidomycin [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 704.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.8±6.0 kJ/mol
Flash Point: 379.9±32.9 °C
Index of Refraction: 1.515
Molar Refractivity: 123.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.65
ACD/KOC (pH 5.5): 1068.99
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.64
ACD/KOC (pH 7.4): 1068.92
Polar Surface Area: 110 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 410.3±3.0 cm3

Click to predict properties on the Chemicalize site


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