ChemSpider 2D Image | atiratecan | C31H34N6O6

atiratecan

  • Molecular FormulaC31H34N6O6
  • Average mass586.638 Da
  • Monoisotopic mass586.253967 Da
  • ChemSpider ID9767114

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9S)-9-Ethyl-10,13-dioxo-1-pentyl-9,10,13,15-tetrahydro-1H,12H-pyrano[3'',4'':6',7']indolizino[2',1':5,6]pyrido[4,3,2-de]chinazolin-9-yl-glycyl-N-methylglycinat [German] [ACD/IUPAC Name]
(9S)-9-Ethyl-10,13-dioxo-1-pentyl-9,10,13,15-tetrahydro-1H,12H-pyrano[3'',4'':6',7']indolizino[2',1':5,6]pyrido[4,3,2-de]quinazolin-9-yl glycyl-N-methylglycinate [ACD/IUPAC Name]
867063-97-6 [RN]
atiratecan [INN]
atiratecán [Spanish] [INN]
atiratécan [French] [INN]
atiratecanum [Latin] [INN]
B0AMG37FFR
Glycine, glycyl-N-methyl-, (9S)-9-ethyl-9,10,13,15-tetrahydro-10,13-dioxo-1-pentyl-1H,12H-pyrano[3'',4'':6',7']indolizino[2',1':5,6]pyrido[4,3,2-de]quinazolin-9-yl ester [ACD/Index Name]
Glycyl-N-méthylglycinate de (9S)-9-éthyl-10,13-dioxo-1-pentyl-9,10,13,15-tétrahydro-1H,12H-pyrano[3'',4'':6',7']indolizino[2',1':5,6]pyrido[4,3,2-de]quinazolin-9-yle [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9072 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 936.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.3±3.0 kJ/mol
Flash Point: 519.9±37.1 °C
Index of Refraction: 1.703
Molar Refractivity: 156.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.87
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 148 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 403.0±7.0 cm3

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