ChemSpider 2D Image | 3-Hydroxy-2-[1-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-morpholinyl)-3-oxopropyl]-6-(methoxymethyl)-4H-pyran-4-one | C23H27NO9

3-Hydroxy-2-[1-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-morpholinyl)-3-oxopropyl]-6-(methoxymethyl)-4H-pyran-4-one

  • Molecular FormulaC23H27NO9
  • Average mass461.462 Da
  • Monoisotopic mass461.168579 Da
  • ChemSpider ID30717884

More details:






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

3-Hydroxy-2-[1-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-morpholinyl)-3-oxopropyl]-6-(methoxymethyl)-4H-pyran-4-on [German] [ACD/IUPAC Name]
3-Hydroxy-2-[1-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-morpholinyl)-3-oxopropyl]-6-(methoxymethyl)-4H-pyran-4-one [ACD/IUPAC Name]
3-Hydroxy-2-[1-(8-méthoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-morpholinyl)-3-oxopropyl]-6-(méthoxyméthyl)-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2-[1-(2,3-dihydro-8-methoxy-1,4-benzodioxin-6-yl)-3-(4-morpholinyl)-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)- [ACD/Index Name]
1574345-23-5 [RN]
3-hydroxy-2-(1-(8-methoxy-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-morpholino-3-oxopropyl)-6-(methoxymethyl)-4H-pyran-4-one
3-hydroxy-2-[1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-morpholin-4-yl-3-oxopropyl]-6-(methoxymethyl)pyran-4-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 694.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 373.7±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 114.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 2.28
ACD/KOC (pH 5.5): 62.69
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.69
ACD/KOC (pH 7.4): 46.56
Polar Surface Area: 113 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 338.7±3.0 cm3

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