ChemSpider 2D Image | (2Z,4Z)-N-{(1E)-3-[(1S,11S,13S,15R)-7,15-Dihydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.0~3,8~]heptadeca-3,5,7-trien-11-yl]-1-propen-1-yl}-2,4-heptadienamide | C25H31NO6

(2Z,4Z)-N-{(1E)-3-[(1S,11S,13S,15R)-7,15-Dihydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3,5,7-trien-11-yl]-1-propen-1-yl}-2,4-heptadienamide

  • Molecular FormulaC25H31NO6
  • Average mass441.517 Da
  • Monoisotopic mass441.215149 Da
  • ChemSpider ID74105065

  • 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

(2Z,4Z)-N-{(1E)-3-[(1S,11S,13S,15R)-7,15-Dihydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3,5,7-trien-11-yl]-1-propen-1-yl}-2,4-heptadienamid [German] [ACD/IUPAC Name]
(2Z,4Z)-N-{(1E)-3-[(1S,11S,13S,15R)-7,15-Dihydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3,5,7-trien-11-yl]-1-propen-1-yl}-2,4-heptadienamide [ACD/IUPAC Name]
(2Z,4Z)-N-{(1E)-3-[(1S,11S,13S,15R)-7,15-Dihydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.03,8]heptadéca-3,5,7-trién-11-yl]-1-propén-1-yl}-2,4-heptadiénamide [French] [ACD/IUPAC Name]
2,4-Heptadienamide, N-[(1E)-3-[(3S,5S,7R,9S)-3,4,5,6,7,8,9,10-octahydro-7,14-dihydroxy-1-oxo-5,9-epoxy-1H-2-benzoxacyclododecin-3-yl]-1-propen-1-yl]-, (2Z,4Z)- [ACD/Index 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: 751.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 408.1±32.9 °C
Index of Refraction: 1.565
Molar Refractivity: 121.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 166.01
ACD/KOC (pH 5.5): 1350.04
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 130.28
ACD/KOC (pH 7.4): 1059.48
Polar Surface Area: 105 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 371.9±3.0 cm3

Click to predict properties on the Chemicalize site


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