ChemSpider 2D Image | (4S,12R)-4-Ethyl-4-hydroxy-12-(2-hydroxyethoxy)-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione | C22H20N2O6

(4S,12R)-4-Ethyl-4-hydroxy-12-(2-hydroxyethoxy)-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione

  • Molecular FormulaC22H20N2O6
  • Average mass408.404 Da
  • Monoisotopic mass408.132141 Da
  • ChemSpider ID34984447

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,12R)-4-Ethyl-4-hydroxy-12-(2-hydroxyethoxy)-1H-pyrano[3',4':6,7]indolizino[1,2-b]chinolin-3,14(4H,12H)-dion [German] [ACD/IUPAC Name]
(4S,12R)-4-Éthyl-4-hydroxy-12-(2-hydroxyéthoxy)-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoléine-3,14(4H,12H)-dione [French] [ACD/IUPAC Name]
(4S,12R)-4-Ethyl-4-hydroxy-12-(2-hydroxyethoxy)-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-hydroxy-12-(2-hydroxyethoxy)-, (4S,12R)- [ACD/Index Name]
200619-13-2 [RN]
DRF-1042
UNII-461WVF206P

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

Density: 1.5±0.1 g/cm3
Boiling Point: 844.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.6±3.0 kJ/mol
Flash Point: 464.6±34.3 °C
Index of Refraction: 1.726
Molar Refractivity: 106.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.30
ACD/KOC (pH 5.5): 81.27
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 3.38
ACD/KOC (pH 7.4): 83.29
Polar Surface Area: 109 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 83.1±5.0 dyne/cm
Molar Volume: 266.4±5.0 cm3

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