ChemSpider 2D Image | (2E,4E)-N-[(2S,3R)-3-Hydroxy-1-{[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino}-1-oxo-2-butanyl]-11-methyl-2,4-dodecadienamide | C28H46N4O6

(2E,4E)-N-[(2S,3R)-3-Hydroxy-1-{[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino}-1-oxo-2-butanyl]-11-methyl-2,4-dodecadienamide

  • Molecular FormulaC28H46N4O6
  • Average mass534.688 Da
  • Monoisotopic mass534.341736 Da
  • ChemSpider ID4943721

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2E,4E)-N-[(2S,3R)-3-Hydroxy-1-{[(3Z,5S,8S,10S)-10-hydroxy-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-{[(3Z,5S,8S,10S)-10-hydroxy-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-{[(3Z,5S,8S,10S)-10-hydroxy-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-[[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]carbonyl]propyl]-11-methyl-, (2E,4E)- [ACD/Index Name]
(2E,4E)-N-[(1S,2R)-2-HYDROXY-1-{[(3Z,5S,8S,10S)-10-HYDROXY-5-METHYL-2,7-DIOXO-1,6-DIAZACYCLODODEC-3-EN-8-YL]CARBAMOYL}PROPYL]-11-METHYLDODECA-2,4-DIENAMIDE
130743-08-7 [RN]
2,4-Dodecadienamide, N-(2-hydroxy-1-(((10-hydroxy-5-methyl-2,7-dioxo-1,6-diazabicyclododec-3-en-8-yl)amino)carbonyl)propyl)-11-methyl-, (5S-(3E,5R*,8R*(1R*(2E,4E),2S*),10R*))-
Cepafungin I

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

Density: 1.2±0.1 g/cm3
Boiling Point: 890.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.9±6.0 kJ/mol
Flash Point: 492.2±34.3 °C
Index of Refraction: 1.549
Molar Refractivity: 147.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.75
ACD/KOC (pH 5.5): 89.60
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.75
ACD/KOC (pH 7.4): 89.60
Polar Surface Area: 157 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 463.5±5.0 cm3

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