ChemSpider 2D Image | MFCD01860734 | C30H32N2O6

MFCD01860734

  • Molecular FormulaC30H32N2O6
  • Average mass516.585 Da
  • Monoisotopic mass516.226013 Da
  • ChemSpider ID2042996

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

266999-24-0 [RN]
Boc-L-2-Aminomethylphe(Fmoc)
Fmoc-L-3-Aminomethylphe(Boc)
L-Phenylalanine, 3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- [ACD/Index Name]
MFCD01860734
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-L-phenylalanin [German] [ACD/IUPAC Name]
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-L-phenylalanine [ACD/IUPAC Name]
N-[(9H-Fluorén-9-ylméthoxy)carbonyl]-3-[({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]-L-phénylalanine [French] [ACD/IUPAC Name]
(2S)-3-(3-{[(TERT-BUTOXYCARBONYL)AMINO]METHYL}PHENYL)-2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}PROPANOIC ACID
(2S)-3-[3-({[(TERT-BUTOXY)CARBONYL]AMINO}METHYL)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: 733.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 112.3±3.0 kJ/mol
    Flash Point: 397.2±32.9 °C
    Index of Refraction: 1.600
    Molar Refractivity: 141.8±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 6.08
    ACD/LogD (pH 5.5): 3.30
    ACD/BCF (pH 5.5): 57.77
    ACD/KOC (pH 5.5): 156.08
    ACD/LogD (pH 7.4): 1.87
    ACD/BCF (pH 7.4): 2.14
    ACD/KOC (pH 7.4): 5.80
    Polar Surface Area: 114 Å2
    Polarizability: 56.2±0.5 10-24cm3
    Surface Tension: 52.8±3.0 dyne/cm
    Molar Volume: 414.6±3.0 cm3

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