ChemSpider 2D Image | FMOC-P-CARBOXY-PHE(OTBU)-OH | C29H29NO6

FMOC-P-CARBOXY-PHE(OTBU)-OH

  • Molecular FormulaC29H29NO6
  • Average mass487.544 Da
  • Monoisotopic mass487.199493 Da
  • ChemSpider ID19016756

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

183070-44-2 [RN]
FMOC-P-CARBOXY-PHE(OTBU)-OH
L-Phenylalanine, 4-[(1,1-dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- [ACD/Index Name]
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanin [German] [ACD/IUPAC Name]
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine [ACD/IUPAC Name]
N-[(9H-Fluorén-9-ylméthoxy)carbonyl]-4-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanine [French] [ACD/IUPAC Name]
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]propanoic acid
(2s)-2-(9h-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]propanoicacid
(2S)-3-[4-(TERT-BUTOXYCARBONYL)PHENYL]-2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}PROPANOIC ACID
(2S)-3-{4-[(tert-butoxy)carbonyl]phenyl}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 684.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 105.4±3.0 kJ/mol
    Flash Point: 367.8±31.5 °C
    Index of Refraction: 1.602
    Molar Refractivity: 134.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 6.61
    ACD/LogD (pH 5.5): 3.61
    ACD/BCF (pH 5.5): 94.26
    ACD/KOC (pH 5.5): 209.08
    ACD/LogD (pH 7.4): 2.23
    ACD/BCF (pH 7.4): 4.02
    ACD/KOC (pH 7.4): 8.92
    Polar Surface Area: 102 Å2
    Polarizability: 53.1±0.5 10-24cm3
    Surface Tension: 52.8±3.0 dyne/cm
    Molar Volume: 390.9±3.0 cm3

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