ChemSpider 2D Image | (2E,4E)-N-[(2S,3R)-3-Hydroxy-1-{[(3E,5S,8S)-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino}-1-oxo-2-butanyl]-11-methyl-2,4-dodecadienamide | C28H46N4O5

(2E,4E)-N-[(2S,3R)-3-Hydroxy-1-{[(3E,5S,8S)-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino}-1-oxo-2-butanyl]-11-methyl-2,4-dodecadienamide

  • Molecular FormulaC28H46N4O5
  • Average mass518.689 Da
  • Monoisotopic mass518.346802 Da
  • ChemSpider ID28641816

  • 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,4E)-N-[(2S,3R)-3-Hydroxy-1-{[(3E,5S,8S)-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino}-1-oxo-2-butanyl]-11-methyl-2,4-dodecadienamid [German] [ACD/IUPAC Name]
(2E,4E)-N-[(2S,3R)-3-Hydroxy-1-{[(3E,5S,8S)-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino}-1-oxo-2-butanyl]-11-methyl-2,4-dodecadienamide [ACD/IUPAC Name]
(2E,4E)-N-[(2S,3R)-3-Hydroxy-1-{[(3E,5S,8S)-5-méthyl-2,7-dioxo-1,6-diazacyclododéc-3-én-8-yl]amino}-1-oxo-2-butanyl]-11-méthyl-2,4-dodécadiénamide [French] [ACD/IUPAC Name]
2,4-Dodecadienamide, N-[(1S,2R)-2-hydroxy-1-[[[(3E,5S,8S)-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]carbonyl]propyl]-11-methyl-, (2E,4E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 853.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.1±6.0 kJ/mol
Flash Point: 470.2±34.3 °C
Index of Refraction: 1.539
Molar Refractivity: 145.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.26
ACD/KOC (pH 5.5): 267.18
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.26
ACD/KOC (pH 7.4): 267.18
Polar Surface Area: 137 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 465.7±5.0 cm3

Click to predict properties on the Chemicalize site


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