ChemSpider 2D Image | 5-[(5S)-5,6,7,8-Tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl]-1,3-benzodioxole-4-carboxylic acid | C19H17NO6

5-[(5S)-5,6,7,8-Tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl]-1,3-benzodioxole-4-carboxylic acid

  • Molecular FormulaC19H17NO6
  • Average mass355.341 Da
  • Monoisotopic mass355.105591 Da
  • ChemSpider ID25029615

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-Benzodioxole-4-carboxylic acid, 5-[[(5S)-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinolin-5-yl]methyl]- [ACD/Index Name]
5-[(5S)-5,6,7,8-Tetrahydro[1,3]dioxolo[4,5-g]isochinolin-5-ylmethyl]-1,3-benzodioxol-4-carbonsäure [German] [ACD/IUPAC Name]
5-[(5S)-5,6,7,8-Tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl]-1,3-benzodioxole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-[(5S)-5,6,7,8-tétrahydro[1,3]dioxolo[4,5-g]isoquinoléin-5-ylméthyl]-1,3-benzodioxole-4-carboxylique [French] [ACD/IUPAC Name]
CORYTERNATINE A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 548.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 285.6±30.1 °C
Index of Refraction: 1.656
Molar Refractivity: 90.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.14
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.10
Polar Surface Area: 86 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 245.5±3.0 cm3

Click to predict properties on the Chemicalize site


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