ChemSpider 2D Image | Tritoqualine | C26H32N2O8

Tritoqualine

  • Molecular FormulaC26H32N2O8
  • Average mass500.541 Da
  • Monoisotopic mass500.215851 Da
  • ChemSpider ID65119

More details:



Featured data source



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

1(3H)-Isobenzofuranone, 7-amino-4,5,6-triethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)- [ACD/Index Name]
14504-73-5 [RN]
1692
7-Amino-4,5,6-triethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isochinolin-5-yl)-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
7-Amino-4,5,6-triéthoxy-3-(4-méthoxy-6-méthyl-5,6,7,8-tétrahydro[1,3]dioxolo[4,5-g]isoquinoléin-5-yl)-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
7-Amino-4,5,6-triethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
7-Amino-4,5,6-triethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-1(3H)-isobenzofuranone
7-Amino-4,5,6-triethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)phthalide
Hypostamine [Trade name]
Inhibostamin [Trade name]
More...

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

F4MW5166YH [DBID]
UNII:F4MW5166YH [DBID]
BRN 0634993 [DBID]
L 554 [DBID]
L-554 [DBID]
MCI-5011 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 647.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 345.2±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 131.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 84.30
ACD/KOC (pH 5.5): 494.45
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 493.31
ACD/KOC (pH 7.4): 2893.56
Polar Surface Area: 111 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 386.0±3.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form