ChemSpider 2D Image | (2Z,4Z)-N-{(1E)-3-[(3R,5R,6R,8E)-5,14-Dihydroxy-6-methyl-1-oxo-3,4,5,6,7,10-hexahydro-1H-2-benzoxacyclododecin-3-yl]-1-propen-1-yl}-2,4-heptadienamide | C26H33NO5

(2Z,4Z)-N-{(1E)-3-[(3R,5R,6R,8E)-5,14-Dihydroxy-6-methyl-1-oxo-3,4,5,6,7,10-hexahydro-1H-2-benzoxacyclododecin-3-yl]-1-propen-1-yl}-2,4-heptadienamide

  • Molecular FormulaC26H33NO5
  • Average mass439.544 Da
  • Monoisotopic mass439.235870 Da
  • ChemSpider ID32778934

  • 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

(2Z,4Z)-N-{(1E)-3-[(3R,5R,6R,8E)-5,14-Dihydroxy-6-methyl-1-oxo-3,4,5,6,7,10-hexahydro-1H-2-benzoxacyclododecin-3-yl]-1-propen-1-yl}-2,4-heptadienamid [German] [ACD/IUPAC Name]
(2Z,4Z)-N-{(1E)-3-[(3R,5R,6R,8E)-5,14-Dihydroxy-6-methyl-1-oxo-3,4,5,6,7,10-hexahydro-1H-2-benzoxacyclododecin-3-yl]-1-propen-1-yl}-2,4-heptadienamide [ACD/IUPAC Name]
(2Z,4Z)-N-{(1E)-3-[(3R,5R,6R,8E)-5,14-Dihydroxy-6-méthyl-1-oxo-3,4,5,6,7,10-hexahydro-1H-2-benzoxacyclododécin-3-yl]-1-propén-1-yl}-2,4-heptadiénamide [French] [ACD/IUPAC Name]
2,4-Heptadienamide, N-[(1E)-3-[(3R,5R,6R,8E)-3,4,5,6,7,10-hexahydro-5,14-dihydroxy-6-methyl-1-oxo-1H-2-benzoxacyclododecin-3-yl]-1-propen-1-yl]-, (2Z,4Z)- [ACD/Index Name]
salicylihalamide A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 708.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.2±32.9 °C
Index of Refraction: 1.549
Molar Refractivity: 125.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 876.62
ACD/KOC (pH 5.5): 4442.91
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 700.23
ACD/KOC (pH 7.4): 3548.92
Polar Surface Area: 96 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 395.3±3.0 cm3

Click to predict properties on the Chemicalize site


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