Found 759 results

Search term: MF = 'C_{31}H_{34}N_{2}O_{7}'
ChemSpider 2D Image | 4-{[(2S)-2-({3-[5-Methyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoyl}amino)-2-phenylacetyl]amino}butanoic acid | C31H34N2O7

4-{[(2S)-2-({3-[5-Methyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoyl}amino)-2-phenylacetyl]amino}butanoic acid

  • Molecular FormulaC31H34N2O7
  • Average mass546.611 Da
  • Monoisotopic mass546.236572 Da
  • ChemSpider ID22881089

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{[(2S)-2-({3-[5-Methyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoyl}amino)-2-phenylacetyl]amino}butanoic acid [ACD/IUPAC Name]
4-{[(2S)-2-({3-[5-Methyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoyl}amino)-2-phenylacetyl]amino}butansäure [German] [ACD/IUPAC Name]
Acide 4-{[(2S)-2-({3-[5-méthyl-3-(2-méthyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromén-6-yl]propanoyl}amino)-2-phénylacétyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[(2S)-2-[[3-[3-(1,1-dimethylethyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]-1-oxopropyl]amino]-2-phenylacetyl]amino]- [ACD/Index Name]
1014044-00-8 [RN]
4-[[(2S)-2-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-2-phenylacetyl]amino]butanoic acid
4-{[(2S)-2-{[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}-2-phenylacetyl]amino}butanoic acid

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 851.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 129.6±3.0 kJ/mol
    Flash Point: 468.5±34.3 °C
    Index of Refraction: 1.592
    Molar Refractivity: 148.1±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 4.81
    ACD/LogD (pH 5.5): 3.68
    ACD/BCF (pH 5.5): 214.67
    ACD/KOC (pH 5.5): 860.88
    ACD/LogD (pH 7.4): 1.87
    ACD/BCF (pH 7.4): 3.37
    ACD/KOC (pH 7.4): 13.53
    Polar Surface Area: 135 Å2
    Polarizability: 58.7±0.5 10-24cm3
    Surface Tension: 51.9±3.0 dyne/cm
    Molar Volume: 437.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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