ChemSpider 2D Image | Glycylglycyl-N-(3-{[(4R)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl]oxy}propyl)glycinamide | C31H36N6O8

Glycylglycyl-N-(3-{[(4R)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl]oxy}propyl)glycinamide

  • Molecular FormulaC31H36N6O8
  • Average mass620.653 Da
  • Monoisotopic mass620.259460 Da
  • ChemSpider ID68025246

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Glycinamide, glycylglycyl-N-[3-[[(4R)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl]oxy]propyl]- [ACD/Index Name]
Glycylglycyl-N-(3-{[(4R)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]chinolin-9-yl]oxy}propyl)glycinamid [German] [ACD/IUPAC Name]
Glycylglycyl-N-(3-{[(4R)-4,11-diéthyl-4-hydroxy-3,14-dioxo-3,4,12,14-tétrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoléin-9-yl]oxy}propyl)glycinamide [French] [ACD/IUPAC Name]
Glycylglycyl-N-(3-{[(4R)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl]oxy}propyl)glycinamide [ACD/IUPAC Name]
187803-34-5 [RN]
187852-63-7 [RN]
2-amino-N-[2-[[2-[3-[[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]propylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
Delimotecan

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1143.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 176.7±3.0 kJ/mol
Flash Point: 645.5±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 161.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -2.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.61
Polar Surface Area: 202 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 78.9±5.0 dyne/cm
Molar Volume: 428.3±5.0 cm3

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