ChemSpider 2D Image | (4R)-4-Ethyl-4,9-dihydroxy-10-[(methylamino)methyl]-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione | C22H21N3O5

(4R)-4-Ethyl-4,9-dihydroxy-10-[(methylamino)methyl]-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione

  • Molecular FormulaC22H21N3O5
  • Average mass407.419 Da
  • Monoisotopic mass407.148132 Da
  • ChemSpider ID128924740

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-4-Ethyl-4,9-dihydroxy-10-[(methylamino)methyl]-1H-pyrano[3',4':6,7]indolizino[1,2-b]chinolin-3,14(4H,12H)-dion [German] [ACD/IUPAC Name]
(4R)-4-Éthyl-4,9-dihydroxy-10-[(méthylamino)méthyl]-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoléine-3,14(4H,12H)-dione [French] [ACD/IUPAC Name]
(4R)-4-Ethyl-4,9-dihydroxy-10-[(methylamino)methyl]-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, 4-ethyl-4,9-dihydroxy-10-[(methylamino)methyl]-, (4R)- [ACD/Index Name]
190710-79-3 [RN]
1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4,9-dihydroxy-10-[(methylamino)methyl]-, (4S)- [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: 815.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.3±3.0 kJ/mol
Flash Point: 447.0±34.3 °C
Index of Refraction: 1.744
Molar Refractivity: 107.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -1.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.78
Polar Surface Area: 112 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 85.8±5.0 dyne/cm
Molar Volume: 266.4±5.0 cm3

Click to predict properties on the Chemicalize site


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