ChemSpider 2D Image | (4S)-11-({[3-({4-[(3-Aminopropyl)amino]butyl}amino)propyl]amino}methyl)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione | C31H42N6O4

(4S)-11-({[3-({4-[(3-Aminopropyl)amino]butyl}amino)propyl]amino}methyl)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione

  • Molecular FormulaC31H42N6O4
  • Average mass562.703 Da
  • Monoisotopic mass562.326782 Da
  • ChemSpider ID10024036

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-11-({[3-({4-[(3-Aminopropyl)amino]butyl}amino)propyl]amino}methyl)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]chinolin-3,14(4H,12H)-dion [German] [ACD/IUPAC Name]
(4S)-11-({[3-({4-[(3-Aminopropyl)amino]butyl}amino)propyl]amino}méthyl)-4-éthyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoléine-3,14(4H,12H)-dione [French] [ACD/IUPAC Name]
(4S)-11-({[3-({4-[(3-Aminopropyl)amino]butyl}amino)propyl]amino}methyl)-4-ethyl-4-hydroxy-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-[[[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]amino]methyl]-4-ethyl-4-hydroxy-, (4S)- [ACD/Index Name]
N-(3-aminopropyl)-N'-(3-(camptothecinyl-7-methyl)aminopropyl)butane-1,4-diamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 882.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.4±3.0 kJ/mol
Flash Point: 487.5±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 159.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -5.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 68.0±5.0 dyne/cm
Molar Volume: 432.7±5.0 cm3

Click to predict properties on the Chemicalize site


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