ChemSpider 2D Image | Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanyl-D-phenylalaninate | C30H34N2O5

Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanyl-D-phenylalaninate

  • Molecular FormulaC30H34N2O5
  • Average mass502.601 Da
  • Monoisotopic mass502.246765 Da
  • ChemSpider ID17460539

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanyl-D-phenylalaninate [ACD/IUPAC Name]
Benzyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanyl-D-phenylalaninat [German] [ACD/IUPAC Name]
D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanyl-, phenylmethyl ester [ACD/Index Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-D-phénylalanyl-D-phénylalaninate de benzyle [French] [ACD/IUPAC Name]
(R)-benzyl 2-((R)-2-((tert-butoxycarbonyl)amino)-3-phenylpropanamido)-3-phenylpropanoate
97642-28-9 [RN]
BENZYL (2R)-2-[(2R)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-PHENYLPROPANAMIDO]-3-PHENYLPROPANOATE
BENZYL (2R)-2-[(2R)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}-3-PHENYLPROPANAMIDO]-3-PHENYLPROPANOATE
benzyl (2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
MCULE-3238054030
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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: 695.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.9±3.0 kJ/mol
    Flash Point: 374.4±31.5 °C
    Index of Refraction: 1.571
    Molar Refractivity: 141.8±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 6.22
    ACD/LogD (pH 5.5): 5.75
    ACD/BCF (pH 5.5): 13807.90
    ACD/KOC (pH 5.5): 31995.63
    ACD/LogD (pH 7.4): 5.75
    ACD/BCF (pH 7.4): 13804.47
    ACD/KOC (pH 7.4): 31987.70
    Polar Surface Area: 94 Å2
    Polarizability: 56.2±0.5 10-24cm3
    Surface Tension: 46.5±3.0 dyne/cm
    Molar Volume: 431.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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