ChemSpider 2D Image | 2-(3-Hydroxy-6-methyl-4-oxo-2',3',5',6'-tetrahydro-4H,4'H-2,4'-bipyran-4'-yl)-N-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]acetamide | C26H32N2O8

2-(3-Hydroxy-6-methyl-4-oxo-2',3',5',6'-tetrahydro-4H,4'H-2,4'-bipyran-4'-yl)-N-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]acetamide

  • Molecular FormulaC26H32N2O8
  • Average mass500.541 Da
  • Monoisotopic mass500.215851 Da
  • ChemSpider ID67892891

More details:

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

[2,4'-Bi-4H-pyran]-4'-acetamide, 2',3',5',6'-tetrahydro-3-hydroxy-6-methyl-4-oxo-N-[(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-9-yl)methyl]- [ACD/Index Name]
2-(3-Hydroxy-6-methyl-4-oxo-2',3',5',6'-tetrahydro-4H,4'H-2,4'-bipyran-4'-yl)-N-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isochinolin-9-yl)methyl]acetamid [German] [ACD/IUPAC Name]
2-(3-Hydroxy-6-méthyl-4-oxo-2',3',5',6'-tétrahydro-4H,4'H-2,4'-bipyran-4'-yl)-N-[(4-méthoxy-6-méthyl-5,6,7,8-tétrahydro[1,3]dioxolo[4,5-g]isoquinoléin-9-yl)méthyl]acétamide [French] [ACD/IUPAC Name]
2-(3-Hydroxy-6-methyl-4-oxo-2',3',5',6'-tetrahydro-4H,4'H-2,4'-bipyran-4'-yl)-N-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]acetamide [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 762.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 414.7±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 128.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.42
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.20
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.30
ACD/KOC (pH 7.4): 46.90
Polar Surface Area: 116 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 374.9±3.0 cm3

Click to predict properties on the Chemicalize site


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