ChemSpider 2D Image | 2-[Hydroxy(3,4,5-trimethoxyphenyl)methyl]-6-methyl-1-[(3,4,5-trimethoxyphenyl)amino]-4a,7a-dihydro-1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione | C27H33N3O9

2-[Hydroxy(3,4,5-trimethoxyphenyl)methyl]-6-methyl-1-[(3,4,5-trimethoxyphenyl)amino]-4a,7a-dihydro-1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione

  • Molecular FormulaC27H33N3O9
  • Average mass543.566 Da
  • Monoisotopic mass543.221680 Da
  • ChemSpider ID5041942

More details:

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

1H-Pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione, 4a,7a-dihydro-2-[hydroxy(3,4,5-trimethoxyphenyl)methyl]-6-methyl-1-[(3,4,5-trimethoxyphenyl)amino]- [ACD/Index Name]
2-[Hydroxy(3,4,5-trimethoxyphenyl)methyl]-6-methyl-1-[(3,4,5-trimethoxyphenyl)amino]-4a,7a-dihydro-1H-pyrrolo[3,4-b]pyridin-5,7(2H,6H)-dion [German] [ACD/IUPAC Name]
2-[Hydroxy(3,4,5-trimethoxyphenyl)methyl]-6-methyl-1-[(3,4,5-trimethoxyphenyl)amino]-4a,7a-dihydro-1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione [ACD/IUPAC Name]
2-[Hydroxy(3,4,5-triméthoxyphényl)méthyl]-6-méthyl-1-[(3,4,5-triméthoxyphényl)amino]-4a,7a-dihydro-1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione [French] [ACD/IUPAC Name]

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

BCB01_000041 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 696.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 374.9±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 142.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.09
ACD/KOC (pH 5.5): 141.28
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.13
ACD/KOC (pH 7.4): 141.97
Polar Surface Area: 128 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 414.6±3.0 cm3

Click to predict properties on the Chemicalize site


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