ChemSpider 2D Image | (2Z,4E)-N-[(S)-[(1S,2E,5R,8E,10Z,17S)-3,11-Dimethyl-19-methylene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]-2,4-hexadienamide | C29H39NO6

(2Z,4E)-N-[(S)-[(1S,2E,5R,8E,10Z,17S)-3,11-Dimethyl-19-methylene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]-2,4-hexadienamide

  • Molecular FormulaC29H39NO6
  • Average mass497.623 Da
  • Monoisotopic mass497.277740 Da
  • ChemSpider ID35034721

  • 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,4E)-N-[(S)-[(1S,2E,5R,8E,10Z,17S)-3,11-Dimethyl-19-methylen-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]-2,4-hexadienamid [German] [ACD/IUPAC Name]
(2Z,4E)-N-[(S)-[(1S,2E,5R,8E,10Z,17S)-3,11-Dimethyl-19-methylene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]-2,4-hexadienamide [ACD/IUPAC Name]
(2Z,4E)-N-[(S)-[(1S,2E,5R,8E,10Z,17S)-3,11-Diméthyl-19-méthylène-7,13-dioxo-6,21-dioxabicyclo[15.3.1]hénicosa-2,8,10-trién-5-yl](hydroxy)méthyl]-2,4-hexadiénamide [French] [ACD/IUPAC Name]
2,4-Hexadienamide, N-[(S)-[(1S,2E,5R,8E,10Z,17S)-3,11-dimethyl-19-methylene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]heneicosa-2,8,10-trien-5-yl]hydroxymethyl]-, (2Z,4E)- [ACD/Index Name]
(2z,4e)-N-[(S)-[(1s,2e,5s,8e,10z,17s)-3,11-Dimethyl-19-Methylidene-7,13-Dioxo-6,21-Dioxabicyclo[15.3.1]henicosa-2,8,10-Trien-5-Yl](Hydroxy)methyl]hexa-2,4-Dienamide
ZPN

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

Density: 1.1±0.1 g/cm3
Boiling Point: 740.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.3±6.0 kJ/mol
Flash Point: 401.8±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 139.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 118.68
ACD/KOC (pH 5.5): 1062.81
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 118.68
ACD/KOC (pH 7.4): 1062.74
Polar Surface Area: 102 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 436.7±5.0 cm3

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