ChemSpider 2D Image | (4R)-11-Ethyl-4-(~2~H_5_)ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione | C22H15D5N2O5

(4R)-11-Ethyl-4-(2H5)ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione

  • Molecular FormulaC22H15D5N2O5
  • Average mass397.435 Da
  • Monoisotopic mass397.168610 Da
  • ChemSpider ID111312193

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4R)-11-Ethyl-4-(2H5)ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]chinolin-3,14(4H,12H)-dion [German] [ACD/IUPAC Name]
(4R)-11-Éthyl-4-(2H5)éthyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoléine-3,14(4H,12H)-dione [French] [ACD/IUPAC Name]
(4R)-11-Ethyl-4-(2H5)ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione [ACD/IUPAC Name]
1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 11-ethyl-4-(ethyl-d5)-4,9-dihydroxy-, (4R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 810.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 443.8±34.3 °C
Index of Refraction: 1.738
Molar Refractivity: 104.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 11.76
ACD/KOC (pH 5.5): 166.48
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.54
ACD/KOC (pH 7.4): 319.09
Polar Surface Area: 100 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 83.4±5.0 dyne/cm
Molar Volume: 258.9±5.0 cm3

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