ChemSpider 2D Image | MFCD06659131 | C30H32N2O6

MFCD06659131

  • Molecular FormulaC30H32N2O6
  • Average mass516.585 Da
  • Monoisotopic mass516.226013 Da
  • ChemSpider ID2042995

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-[3-({[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}METHYL)PHENYL]PROPANOIC ACID
3-({[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}methyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanin [German] [ACD/IUPAC Name]
3-({[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}methyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine [ACD/IUPAC Name]
3-({[(9H-Fluorén-9-ylméthoxy)carbonyl]amino}méthyl)-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanine [French] [ACD/IUPAC Name]
959573-13-8 [RN]
Boc-L-3-Aminomethylphe(Fmoc)
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]- [ACD/Index Name]
MFCD06659131
N-[(1,1-Dimethylethoxy)carbonyl]-3-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-L-phenylalanine
(2S)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}-3-{3-[({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)METHYL]PHENYL}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): 3.44
    ACD/BCF (pH 5.5): 77.71
    ACD/KOC (pH 5.5): 202.26
    ACD/LogD (pH 7.4): 1.97
    ACD/BCF (pH 7.4): 2.60
    ACD/KOC (pH 7.4): 6.76
    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

    Click to predict properties on the Chemicalize site


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