ChemSpider 2D Image | (2E,4E,6R)-N-(3-Chloro-2,5-dihydroxy-4-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}phenyl)-2,4,6-trimethyl-2,4-decadienamide | C31H37ClN2O6

(2E,4E,6R)-N-(3-Chloro-2,5-dihydroxy-4-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}phenyl)-2,4,6-trimethyl-2,4-decadienamide

  • Molecular FormulaC31H37ClN2O6
  • Average mass569.088 Da
  • Monoisotopic mass568.234009 Da
  • ChemSpider ID9448084
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2E,4E,6R)-N-(3-Chlor-2,5-dihydroxy-4-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}phenyl)-2,4,6-trimethyl-2,4-decadienamid [German] [ACD/IUPAC Name]
(2E,4E,6R)-N-(3-Chloro-2,5-dihydroxy-4-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}phenyl)-2,4,6-trimethyl-2,4-decadienamide [ACD/IUPAC Name]
(2E,4E,6R)-N-(3-Chloro-2,5-dihydroxy-4-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopentén-1-yl)amino]-7-oxo-1,3,5-heptatrién-1-yl}phényl)-2,4,6-triméthyl-2,4-décadiénamide [French] [ACD/IUPAC Name]
2,4-Decadienamide, N-[3-chloro-2,5-dihydroxy-4-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl]phenyl]-2,4,6-trimethyl-, (2E,4E,6R)- [ACD/Index Name]
chinikomycin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 817.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.5±3.0 kJ/mol
Flash Point: 448.1±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 156.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 71.60
ACD/KOC (pH 5.5): 240.27
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 1.84
ACD/KOC (pH 7.4): 6.18
Polar Surface Area: 136 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 444.9±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement