ChemSpider 2D Image | Dibenzyl N-[(benzyloxy)carbonyl]-beta-alanyl-D-glutamate | C30H32N2O7

Dibenzyl N-[(benzyloxy)carbonyl]-β-alanyl-D-glutamate

  • Molecular FormulaC30H32N2O7
  • Average mass532.584 Da
  • Monoisotopic mass532.220947 Da
  • ChemSpider ID17461226

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Glutamic acid, N-[(phenylmethoxy)carbonyl]-β-alanyl-, bis(phenylmethyl) ester [ACD/Index Name]
Dibenzyl N-[(benzyloxy)carbonyl]-β-alanyl-D-glutamate [ACD/IUPAC Name]
Dibenzyl-N-[(benzyloxy)carbonyl]-β-alanyl-D-glutamat [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-β-alanyl-D-glutamate de dibenzyle [French] [ACD/IUPAC Name]
(R)-dibenzyl 2-(3-(((benzyloxy)carbonyl)amino)propanamido)pentanedioate
956814-98-5 [RN]
dibenzyl (2R)-2-[3-(phenylmethoxycarbonylamino)propanoylamino]pentanedioate
MCULE-8335602622
MolPort-002-510-528
STOCK1N-07871

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 730.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 106.6±3.0 kJ/mol
    Flash Point: 395.5±32.9 °C
    Index of Refraction: 1.575
    Molar Refractivity: 143.6±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 17
    #Rule of 5 Violations: 1
    ACD/LogP: 4.88
    ACD/LogD (pH 5.5): 4.89
    ACD/BCF (pH 5.5): 3077.76
    ACD/KOC (pH 5.5): 10926.30
    ACD/LogD (pH 7.4): 4.89
    ACD/BCF (pH 7.4): 3077.65
    ACD/KOC (pH 7.4): 10925.92
    Polar Surface Area: 120 Å2
    Polarizability: 56.9±0.5 10-24cm3
    Surface Tension: 50.6±3.0 dyne/cm
    Molar Volume: 434.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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