ChemSpider 2D Image | (4S)-10-[(Dimethylamino)methyl]-4-(~2~H_5_)ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione | C23H18D5N3O5

(4S)-10-[(Dimethylamino)methyl]-4-(2H5)ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione

  • Molecular FormulaC23H18D5N3O5
  • Average mass426.477 Da
  • Monoisotopic mass426.195160 Da
  • ChemSpider ID48063422
  • 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

(4S)-10-[(Dimethylamino)methyl]-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]
(4S)-10-[(Diméthylamino)méthyl]-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]
(4S)-10-[(Dimethylamino)methyl]-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, 10-[(dimethylamino)methyl]-4-(ethyl-d5)-4,9-dihydroxy-, (4S)- [ACD/Index Name]
1133355-98-2 [RN]
Topotecan-d5

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 782.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 427.3±32.9 °C
Index of Refraction: 1.734
Molar Refractivity: 112.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 28.53
Polar Surface Area: 103 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 82.9±5.0 dyne/cm
Molar Volume: 281.3±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement