ChemSpider 2D Image | (4S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-proline | C25H28N2O6

(4S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-proline

  • Molecular FormulaC25H28N2O6
  • Average mass452.500 Da
  • Monoisotopic mass452.194733 Da
  • ChemSpider ID25084369

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-prolin [German] [ACD/IUPAC Name]
(4S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-proline [ACD/IUPAC Name]
(4S)-1-[(9H-Fluorén-9-ylméthoxy)carbonyl]-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-D-proline [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(9H-fluoren-9-ylmethyl) ester, (2R,4S)- [ACD/Index Name]
(2R,4S)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-((tert-butoxycarbonyl)amino)pyrrolidine-2-carboxylic acid
(2R,4S)-1-Fmoc-4-BOC-amino Pyrrolidine-2-carboxylic acid
(2r,4s)-1-fmoc-4-boc-aminopyrrolidine-2-carboxylic acid
(2r,4s)-1-fmoc-4-boc-aminopyrrolidine-2-carboxylicacid
(2R,4S)-4-[(tert-butoxycarbonyl)amino]-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid
(2R,4S)-4-{[(tert-butoxy)carbonyl]amino}-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-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: 1.3±0.1 g/cm3
    Boiling Point: 650.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 100.8±3.0 kJ/mol
    Flash Point: 347.2±31.5 °C
    Index of Refraction: 1.627
    Molar Refractivity: 120.4±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.86
    ACD/LogD (pH 5.5): 2.63
    ACD/BCF (pH 5.5): 22.81
    ACD/KOC (pH 5.5): 107.54
    ACD/LogD (pH 7.4): 0.96
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.32
    Polar Surface Area: 105 Å2
    Polarizability: 47.7±0.5 10-24cm3
    Surface Tension: 62.2±5.0 dyne/cm
    Molar Volume: 339.7±5.0 cm3

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