ChemSpider 2D Image | Benzyl N-[(benzyloxy)carbonyl]-L-valylglycylglycinate | C24H29N3O6

Benzyl N-[(benzyloxy)carbonyl]-L-valylglycylglycinate

  • Molecular FormulaC24H29N3O6
  • Average mass455.504 Da
  • Monoisotopic mass455.205627 Da
  • ChemSpider ID52563611

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzyl N-[(benzyloxy)carbonyl]-L-valylglycylglycinate [ACD/IUPAC Name]
BenzylN-[(benzyloxy)carbonyl]-L-valylglycylglycinat [German] [ACD/IUPAC Name]
Glycine, N-[(phenylmethoxy)carbonyl]-L-valylglycyl-, phenylmethyl ester [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-valylglycylglycinate de benzyle [French] [ACD/IUPAC Name]
72722-19-1 [RN]
benzyl 2-[[2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetyl]amino]acetate
BENZYL 2-{2-[(2S)-2-{[(BENZYLOXY)CARBONYL]AMINO}-3-METHYLBUTANAMIDO]ACETAMIDO}ACETATE
Z-VAL-GLY-GLY-OBZL

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 707.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.4±3.0 kJ/mol
    Flash Point: 381.5±32.9 °C
    Index of Refraction: 1.556
    Molar Refractivity: 120.9±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 0
    ACD/LogP: 3.51
    ACD/LogD (pH 5.5): 2.24
    ACD/BCF (pH 5.5): 29.55
    ACD/KOC (pH 5.5): 392.84
    ACD/LogD (pH 7.4): 2.24
    ACD/BCF (pH 7.4): 29.53
    ACD/KOC (pH 7.4): 392.65
    Polar Surface Area: 123 Å2
    Polarizability: 47.9±0.5 10-24cm3
    Surface Tension: 48.3±3.0 dyne/cm
    Molar Volume: 376.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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