ChemSpider 2D Image | 5-Benzyl 1-(6-oxo-6H-benzo[c]chromen-3-yl) N-[(benzyloxy)carbonyl]-D-glutamate | C33H27NO8

5-Benzyl 1-(6-oxo-6H-benzo[c]chromen-3-yl) N-[(benzyloxy)carbonyl]-D-glutamate

  • Molecular FormulaC33H27NO8
  • Average mass565.569 Da
  • Monoisotopic mass565.173645 Da
  • ChemSpider ID17461039

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-Benzyl 1-(6-oxo-6H-benzo[c]chromen-3-yl) N-[(benzyloxy)carbonyl]-D-glutamate [ACD/IUPAC Name]
5-Benzyl-1-(6-oxo-6H-benzo[c]chromen-3-yl)-N-[(benzyloxy)carbonyl]-D-glutamat [German] [ACD/IUPAC Name]
D-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 1-(6-oxo-6H-dibenzo[b,d]pyran-3-yl) 5-(phenylmethyl) ester [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-D-glutamate de 5-benzyle et de 1-(6-oxo-6H-benzo[c]chromén-3-yle) [French] [ACD/IUPAC Name]
1212073-68-1 [RN]
1-BENZYL 6-OXO-6H-BENZO[C]CHROMEN-3-YL (4R)-4-{[(BENZYLOXY)CARBONYL]AMINO}PENTANEDIOATE
1-BENZYL 6-OXOBENZO[C]CHROMEN-3-YL (4R)-4-{[(BENZYLOXY)CARBONYL]AMINO}PENTANEDIOATE
5-O-benzyl 1-O-(6-oxobenzo[c]chromen-3-yl) (2R)-2-(phenylmethoxycarbonylamino)pentanedioate
MCULE-3190082011
MolPort-000-785-776
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 765.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 111.4±3.0 kJ/mol
    Flash Point: 416.6±32.9 °C
    Index of Refraction: 1.622
    Molar Refractivity: 150.7±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 7.36
    ACD/LogD (pH 5.5): 6.65
    ACD/BCF (pH 5.5): 66311.23
    ACD/KOC (pH 5.5): 98372.06
    ACD/LogD (pH 7.4): 6.65
    ACD/BCF (pH 7.4): 66266.98
    ACD/KOC (pH 7.4): 98306.41
    Polar Surface Area: 117 Å2
    Polarizability: 59.8±0.5 10-24cm3
    Surface Tension: 57.7±3.0 dyne/cm
    Molar Volume: 427.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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