ChemSpider 2D Image | (2S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]octahydro-1H-indole-2-carboxylic acid | C24H25NO4

(2S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]octahydro-1H-indole-2-carboxylic acid

  • Molecular FormulaC24H25NO4
  • Average mass391.460 Da
  • Monoisotopic mass391.178345 Da
  • ChemSpider ID23894788

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]octahydro-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
(2S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]octahydro-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
130309-37-4 [RN]
1H-Indole-1,2-dicarboxylic acid, octahydro-, 1-(9H-fluoren-9-ylmethyl) ester, (2S)- [ACD/Index Name]
Acide (2S)-1-[(9H-fluorén-9-ylméthoxy)carbonyl]octahydro-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]
MFCD00191201 [MDL number]
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
(2S)-1-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-OCTAHYDROINDOLE-2-CARBOXYLIC ACID
(2S)-1-{[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID
(2S,3aS,7aS)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)octahydro-1H-indole-2-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 592.4±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 92.9±3.0 kJ/mol
    Flash Point: 312.1±25.4 °C
    Index of Refraction: 1.619
    Molar Refractivity: 107.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.55
    ACD/LogD (pH 5.5): 3.50
    ACD/BCF (pH 5.5): 114.90
    ACD/KOC (pH 5.5): 380.40
    ACD/LogD (pH 7.4): 1.78
    ACD/BCF (pH 7.4): 2.18
    ACD/KOC (pH 7.4): 7.22
    Polar Surface Area: 67 Å2
    Polarizability: 42.6±0.5 10-24cm3
    Surface Tension: 54.7±3.0 dyne/cm
    Molar Volume: 306.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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