ChemSpider 2D Image | (2E,4E,6R)-N-(5-Chloro-4-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}-3,6-dioxo-1,4-cyclohexadien-1-yl)-2,4,6-trimethyl-2,4-decadienamide | C31H35ClN2O6

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

  • Molecular FormulaC31H35ClN2O6
  • Average mass567.072 Da
  • Monoisotopic mass566.218384 Da
  • ChemSpider ID9470999

  • 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-(5-Chlor-4-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}-3,6-dioxo-1,4-cyclohexadien-1-yl)-2,4,6-trimethyl-2,4-decadienamid [German] [ACD/IUPAC Name]
(2E,4E,6R)-N-(5-Chloro-4-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}-3,6-dioxo-1,4-cyclohexadien-1-yl)-2,4,6-trimethyl-2,4-decadienamide [ACD/IUPAC Name]
(2E,4E,6R)-N-(5-Chloro-4-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopentén-1-yl)amino]-7-oxo-1,3,5-heptatrién-1-yl}-3,6-dioxo-1,4-cyclohexadién-1-yl)-2,4,6-triméthyl-2,4-décadiénamide [French] [ACD/IUPAC Name]
2,4-Decadienamide, N-[5-chloro-4-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl]-3,6-dioxo-1,4-cyclohexadien-1-yl]-2,4,6-trimethyl-, (2E,4E,6R)- [ACD/Index Name]
chinikomycin B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL475672/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 763.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.9±6.0 kJ/mol
Flash Point: 415.8±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 153.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 2.76
ACD/KOC (pH 5.5): 23.33
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 451.4±5.0 cm3

Click to predict properties on the Chemicalize site


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