ChemSpider 2D Image | Methyl 3-[3-hydroxy-6-(4-morpholinylmethyl)-4-oxo-4H-pyran-2-yl]-3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate | C23H27NO9

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

  • Molecular FormulaC23H27NO9
  • Average mass461.462 Da
  • Monoisotopic mass461.168579 Da
  • ChemSpider ID32510521

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-(4-morpholinylmethyl)-4-oxo-4H-pyran-2-yl]-8-methoxy-, methyl ester [ACD/Index Name]
3-[3-Hydroxy-6-(4-morpholinylméthyl)-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-(4-morpholinylmethyl)-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-(4-morpholinylmethyl)-4-oxo-4H-pyran-2-yl]-3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoat [German] [ACD/IUPAC Name]
1630840-61-7 [RN]
C23H27NO9
methyl 3-(3-hydroxy-6-(morpholinomethyl)-4-oxo-4H-pyran-2-yl)-3-(8-methoxy-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propanoate
methyl 3-[3-hydroxy-6-(morpholin-4-ylmethyl)-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: 644.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.7±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 114.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.53
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.52
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.14
ACD/KOC (pH 7.4): 46.20
Polar Surface Area: 113 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 338.7±3.0 cm3

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