ChemSpider 2D Image | (3S,4aS,8aS)-2-(tert-Butoxycarbonyl)decahydroisoquinoline-3-carboxylic acid | C15H25NO4

(3S,4aS,8aS)-2-(tert-Butoxycarbonyl)decahydroisoquinoline-3-carboxylic acid

  • Molecular FormulaC15H25NO4
  • Average mass283.363 Da
  • Monoisotopic mass283.178345 Da
  • ChemSpider ID18942862

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,4aS,8aS)-2-(tert-Butoxycarbonyl)decahydroisoquinoline-3-carboxylic acid
(3S,4aS,8aS)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}decahydro-3-isochinolincarbonsäure [German] [ACD/IUPAC Name]
(3S,4aS,8aS)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}decahydro-3-isoquinolinecarboxylic acid [ACD/IUPAC Name]
115238-59-0 [RN]
2-(1,1-Dimethylethyl) (3S,4aS,8aS)-octahydro-2,3(1H)-isoquinolinedicarboxylate
2,3(1H)-Isoquinolinedicarboxylic acid, octahydro-, 2-(1,1-dimethylethyl) ester, (3S,4aS,8aS)- [ACD/Index Name]
Acide (3S,4aS,8aS)-2-{[(2-méthyl-2-propanyl)oxy]carbonyl}décahydro-3-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
(3S,4aS,8aS)-2-(tert-Butoxycarbonyl)decahydroisoquinoline-3-carboxylicacid
(3S,4aS,8aS)-2-(tert-butoxycarbonyl)-octahydro-1H-isoquinoline-3-carboxylic acid
(3S,4aS,8aS)-2-[(tert-butoxy)carbonyl]-decahydroisoquinoline-3-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [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: 415.5±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.4±6.0 kJ/mol
    Flash Point: 205.1±24.0 °C
    Index of Refraction: 1.507
    Molar Refractivity: 74.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.67
    ACD/LogD (pH 5.5): 1.77
    ACD/BCF (pH 5.5): 5.82
    ACD/KOC (pH 5.5): 46.85
    ACD/LogD (pH 7.4): 0.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 67 Å2
    Polarizability: 29.4±0.5 10-24cm3
    Surface Tension: 42.6±3.0 dyne/cm
    Molar Volume: 248.9±3.0 cm3

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