ChemSpider 2D Image | Kanamienamide | C28H48N2O5

Kanamienamide

  • Molecular FormulaC28H48N2O5
  • Average mass492.691 Da
  • Monoisotopic mass492.356323 Da
  • ChemSpider ID58197334
  • 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

(2E)-N-{(1Z)-5-[(3S,6R,8S,11S)-3-Isobutyl-4,6,8-trimethyl-2,5-dioxo-1-oxa-4-azacycloundecan-11-yl]-1-penten-1-yl}-3-methoxy-N-methyl-2-pentenamid [German] [ACD/IUPAC Name]
(2E)-N-{(1Z)-5-[(3S,6R,8S,11S)-3-Isobutyl-4,6,8-trimethyl-2,5-dioxo-1-oxa-4-azacycloundecan-11-yl]-1-penten-1-yl}-3-methoxy-N-methyl-2-pentenamide [ACD/IUPAC Name]
(2E)-N-{(1Z)-5-[(3S,6R,8S,11S)-3-Isobutyl-4,6,8-triméthyl-2,5-dioxo-1-oxa-4-azacycloundécan-11-yl]-1-pentén-1-yl}-3-méthoxy-N-méthyl-2-penténamide [French] [ACD/IUPAC Name]
2-Pentenamide, 3-methoxy-N-methyl-N-[(1Z)-5-[(3S,6R,8S,11S)-4,6,8-trimethyl-3-(2-methylpropyl)-2,5-dioxo-1-oxa-4-azacycloundec-11-yl]-1-penten-1-yl]-, (2E)- [ACD/Index Name]
Kanamienamide

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

Density: 1.0±0.1 g/cm3
Boiling Point: 654.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.5±30.1 °C
Index of Refraction: 1.473
Molar Refractivity: 140.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2851.89
ACD/KOC (pH 5.5): 10346.15
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2851.89
ACD/KOC (pH 7.4): 10346.16
Polar Surface Area: 76 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 501.6±3.0 cm3

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