ChemSpider 2D Image | N~5~-Carbamoyl-N~2~-{[3-(4-chlorophenyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}-L-ornithine | C27H26ClN3O7

N5-Carbamoyl-N2-{[3-(4-chlorophenyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}-L-ornithine

  • Molecular FormulaC27H26ClN3O7
  • Average mass539.964 Da
  • Monoisotopic mass539.145935 Da
  • ChemSpider ID22875148

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Ornithine, N5-(aminocarbonyl)-N2-[2-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl]- [ACD/Index Name]
N5-Carbamoyl-N2-{[3-(4-chlorophenyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}-L-ornithine [ACD/IUPAC Name]
N5-Carbamoyl-N2-{[3-(4-chlorphenyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}-L-ornithin [German] [ACD/IUPAC Name]
N5-Carbamoyl-N2-{2-[3-(4-chlorophényl)-5,9-diméthyl-7-oxo-7H-furo[3,2-g]chromén-6-yl]acétyl}-L-ornithine [French] [ACD/IUPAC Name]
(2S)-5-(carbamoylamino)-2-[[2-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]pentanoic acid
(S)-2-(2-(3-(4-chlorophenyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-5-ureidopentanoic acid
956047-46-4 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 844.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 128.6±3.0 kJ/mol
    Flash Point: 464.4±34.3 °C
    Index of Refraction: 1.626
    Molar Refractivity: 138.4±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 3
    ACD/LogP: 3.97
    ACD/LogD (pH 5.5): 1.06
    ACD/BCF (pH 5.5): 1.02
    ACD/KOC (pH 5.5): 7.59
    ACD/LogD (pH 7.4): -0.23
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 161 Å2
    Polarizability: 54.8±0.5 10-24cm3
    Surface Tension: 59.1±3.0 dyne/cm
    Molar Volume: 390.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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