ChemSpider 2D Image | 6,7-Diacetoxy-1-(3,4-diacetoxybenzyl)-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid | C26H27NO10

6,7-Diacetoxy-1-(3,4-diacetoxybenzyl)-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid

  • Molecular FormulaC26H27NO10
  • Average mass513.493 Da
  • Monoisotopic mass513.163513 Da
  • ChemSpider ID471115

More details:

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

1-Isoquinolinecarboxylic acid, 6,7-bis(acetyloxy)-1-[[3,4-bis(acetyloxy)phenyl]methyl]-1,2,3,4-tetrahydro-2-methyl- [ACD/Index Name]
6,7-Diacetoxy-1-(3,4-diacetoxybenzyl)-2-methyl-1,2,3,4-tetrahydro-1-isochinolincarbonsäure [German] [ACD/IUPAC Name]
6,7-Diacetoxy-1-(3,4-diacetoxybenzyl)-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid [ACD/IUPAC Name]
Acide 6,7-diacétoxy-1-(3,4-diacétoxybenzyl)-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
6,7-Bis(acetyloxy)-1-[3,4-bis(acetyloxy)benzyl]-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid
Papaverolin-1-carboxylic acid, 2-methyl-, tetraacetate(ester)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 646.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 344.8±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 127.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.13
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 386.8±3.0 cm3

Click to predict properties on the Chemicalize site


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