ChemSpider 2D Image | Methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate | C20H22O9

Methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate

  • Molecular FormulaC20H22O9
  • Average mass406.383 Da
  • Monoisotopic mass406.126373 Da
  • ChemSpider ID29771907

More details:






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

1,4-Benzodioxin-6-propanoic acid, 2,3-dihydro-β-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-8-methoxy-, methyl ester [ACD/Index Name]
3-[3-Hydroxy-6-(méthoxyméthyl)-4-oxo-4H-pyran-2-yl]-3-(8-méthoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate [ACD/IUPAC Name]
Methyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoat [German] [ACD/IUPAC Name]
1574467-82-5 [RN]
c20h22o9
methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 584.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 205.1±23.6 °C
Index of Refraction: 1.573
Molar Refractivity: 98.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.48
ACD/KOC (pH 5.5): 132.35
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.45
ACD/KOC (pH 7.4): 90.95
Polar Surface Area: 110 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 300.5±3.0 cm3

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