ChemSpider 2D Image | N-{(1E,4R,5R,7E,9S,10S,11S)-4,10-Dimethoxy-11-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxo-1,7-dodecadien-1-yl}-N-methylformamide | C30H45NO7

N-{(1E,4R,5R,7E,9S,10S,11S)-4,10-Dimethoxy-11-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxo-1,7-dodecadien-1-yl}-N-methylformamide

  • Molecular FormulaC30H45NO7
  • Average mass531.681 Da
  • Monoisotopic mass531.319580 Da
  • ChemSpider ID35033695
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres


More details:






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

Formamide, N-[(1E,4R,5R,7E,9S,10S,11S)-4,10-dimethoxy-11-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxo-1,7-dodecadien-1-yl]-N-methyl- [ACD/Index Name]
N-{(1E,4R,5R,7E,9S,10S,11S)-4,10-Dimethoxy-11-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxo-1,7-dodecadien-1-yl}-N-methylformamid [German] [ACD/IUPAC Name]
N-{(1E,4R,5R,7E,9S,10S,11S)-4,10-Dimethoxy-11-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxo-1,7-dodecadien-1-yl}-N-methylformamide [ACD/IUPAC Name]
N-{(1E,4R,5R,7E,9S,10S,11S)-4,10-Diméthoxy-11-[(2S,4S,5S)-2-(4-méthoxyphényl)-5-méthyl-1,3-dioxan-4-yl]-5,9-diméthyl-6-oxo-1,7-dodécadién-1-yl}-N-méthylformamide [French] [ACD/IUPAC Name]
N-{(1e,4r,5r,7e,9s,10s,11s)-4,10-Dimethoxy-11-[(2s,4s,5s)-2-(4-Methoxyphenyl)-5-Methyl-1,3-Dioxan-4-Yl]-5,9-Dimethyl-6-Oxododeca-1,7-Dien-1-Yl}-N-Methylformamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 661.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.8±31.5 °C
Index of Refraction: 1.505
Molar Refractivity: 148.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 597.69
ACD/KOC (pH 5.5): 3380.65
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 597.69
ACD/KOC (pH 7.4): 3380.69
Polar Surface Area: 84 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 499.6±3.0 cm3

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