ChemSpider 2D Image | (2E,4E)-N-[(2S,3R)-3-Hydroxy-1-{[(3Z,5R,8S,10S)-10-hydroxy-5-(hydroxymethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino}-1-oxo-2-butanyl]-2,4-dodecadienamide | C27H44N4O7

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

  • Molecular FormulaC27H44N4O7
  • Average mass536.661 Da
  • Monoisotopic mass536.320984 Da
  • ChemSpider ID4948093

  • 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,5R,8S,10S)-10-hydroxy-5-(hydroxymethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino}-1-oxo-2-butanyl]-2,4-dodecadienamid [German] [ACD/IUPAC Name]
(2E,4E)-N-[(2S,3R)-3-Hydroxy-1-{[(3Z,5R,8S,10S)-10-hydroxy-5-(hydroxymethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino}-1-oxo-2-butanyl]-2,4-dodecadienamide [ACD/IUPAC Name]
(2E,4E)-N-[(2S,3R)-3-Hydroxy-1-{[(3Z,5R,8S,10S)-10-hydroxy-5-(hydroxyméthyl)-2,7-dioxo-1,6-diazacyclododéc-3-én-8-yl]amino}-1-oxo-2-butanyl]-2,4-dodécadiénamide [French] [ACD/IUPAC Name]
2,4-Dodecadienamide, N-[(1S,2R)-2-hydroxy-1-[[[(3Z,5R,8S,10S)-10-hydroxy-5-(hydroxymethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]carbonyl]propyl]-, (2E,4E)- [ACD/Index Name]
(2E,4E)-N-[(1S,2R)-2-HYDROXY-1-{[(3Z,5R,8S,10S)-10-HYDROXY-5-(HYDROXYMETHYL)-2,7-DIOXO-1,6-DIAZACYCLODODEC-3-EN-8-YL]CARBAMOYL}PROPYL]DODECA-2,4-DIENAMIDE
119259-71-1 [RN]
2,4-Dodecadienamide, N-(2-hydroxy-1-(((10-hydroxy-5-(hydroxymethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl)amino)carbonyl)propyl)-, (5R-(3E,5R*,8S*(1S*(2E,4E),2R*),10S*))-
Glidobactin G

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

Density: 1.2±0.1 g/cm3
Boiling Point: 940.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 155.2±6.0 kJ/mol
Flash Point: 522.4±34.3 °C
Index of Refraction: 1.563
Molar Refractivity: 144.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.69
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.69
Polar Surface Area: 177 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 444.1±5.0 cm3

Click to predict properties on the Chemicalize site


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