ChemSpider 2D Image | olodanrigan | C32H29NO5

olodanrigan

  • Molecular FormulaC32H29NO5
  • Average mass507.576 Da
  • Monoisotopic mass507.204559 Da
  • ChemSpider ID8112918

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-2-(2,2-diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy-5-(phenylmethoxy)-3-isoquinolinecarboxylic acid
(3S)-5-(Benzyloxy)-2-(diphenylacetyl)-6-methoxy-1,2,3,4-tetrahydro-3-isochinolincarbonsäure [German] [ACD/IUPAC Name]
(3S)-5-(Benzyloxy)-2-(diphenylacetyl)-6-methoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid [ACD/IUPAC Name]
(3S)-5-(benzyloxy)-2-(diphenylacetyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
1316755-16-4 [RN]
3-Isoquinolinecarboxylic acid, 2-(2,2-diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy-5-(phenylmethoxy)-, (3S)- [ACD/Index Name]
Acide (3S)-5-(benzyloxy)-2-(2,2-diphénylacétyl)-6-méthoxy-1,2,3,4-tétrahydro-3-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
EMA401
olodanrigan [INN]
olodanrigan [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10476 [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: 745.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 114.0±3.0 kJ/mol
    Flash Point: 404.5±32.9 °C
    Index of Refraction: 1.631
    Molar Refractivity: 144.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 5.98
    ACD/LogD (pH 5.5): 3.63
    ACD/BCF (pH 5.5): 114.11
    ACD/KOC (pH 5.5): 287.10
    ACD/LogD (pH 7.4): 2.09
    ACD/BCF (pH 7.4): 3.27
    ACD/KOC (pH 7.4): 8.22
    Polar Surface Area: 76 Å2
    Polarizability: 57.1±0.5 10-24cm3
    Surface Tension: 55.1±3.0 dyne/cm
    Molar Volume: 404.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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