ChemSpider 2D Image | tert-butyl {(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate | C29H47N3O4

tert-butyl {(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate

  • Molecular FormulaC29H47N3O4
  • Average mass501.701 Da
  • Monoisotopic mass501.356659 Da
  • ChemSpider ID400024

  • defined stereocentres - 5 of 5 defined stereocentres

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

{(2S,3R)-3-Hydroxy-4-[(3S,4aS,8aS)-3-[(2-méthyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinoléinyl]-1-phényl-2-butanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(2S,3R)-3-hydroxy-4-[(3S,4aS,8aS)-3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinolinyl]-1-phenyl-2-butanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(2S,3R)-3-hydroxy-4-[(3S,4aS,8aS)-3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isochinolinyl]-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[(3S,4aS,8aS)-3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl {(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
(3S,4aS,8aS)-2-[(2R,3S)-3-tert-Butyloxycarbonylamino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)d
(3S,4aS,8aS)-2-[(2R,3S)-3-tert-Butyloxycarbonylamino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide
[(1S,2R)-1-Benzyl-3-((3S,4aS,8aS)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-propyl]-carbamic acid tert-butyl ester
[1-Benzyl-3-(3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-propyl]-carbamic acid tert-butyl ester
142580-65-2 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS004504 [DBID]
AIDS-004504 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 680.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 104.9±3.0 kJ/mol
    Flash Point: 365.4±31.5 °C
    Index of Refraction: 1.528
    Molar Refractivity: 142.8±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.74
    ACD/LogD (pH 5.5): 4.58
    ACD/BCF (pH 5.5): 1313.88
    ACD/KOC (pH 5.5): 4120.74
    ACD/LogD (pH 7.4): 5.13
    ACD/BCF (pH 7.4): 4607.29
    ACD/KOC (pH 7.4): 14449.95
    Polar Surface Area: 91 Å2
    Polarizability: 56.6±0.5 10-24cm3
    Surface Tension: 41.9±3.0 dyne/cm
    Molar Volume: 463.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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