Found 7 results

Search term: SZDGAZFTAUFFQH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (6S)-6-[(1S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]furo[3,4-e][1,3]benzodioxol-8(6H)-one | C21H21NO6

(6S)-6-[(1S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]furo[3,4-e][1,3]benzodioxol-8(6H)-one

  • Molecular FormulaC21H21NO6
  • Average mass383.395 Da
  • Monoisotopic mass383.136902 Da
  • ChemSpider ID115015529

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(6S)-6-[(1S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl]furo[3,4-e][1,3]benzodioxol-8(6H)-on [German] [ACD/IUPAC Name]
(6S)-6-[(1S)-6,7-Diméthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl]furo[3,4-e][1,3]benzodioxol-8(6H)-one [French] [ACD/IUPAC Name]
(6S)-6-[(1S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]furo[3,4-e][1,3]benzodioxol-8(6H)-one [ACD/IUPAC Name]
Furo[3,4-e]-1,3-benzodioxol-8(6H)-one, 6-[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]-, (6S)- [ACD/Index 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: 542.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.6±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 99.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 3.70
ACD/KOC (pH 5.5): 39.56
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 52.57
ACD/KOC (pH 7.4): 562.59
Polar Surface Area: 66 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 286.2±3.0 cm3

Click to predict properties on the Chemicalize site


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