ChemSpider 2D Image | N-{[5-Methyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}-L-tyrosine | C27H27NO7

N-{[5-Methyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}-L-tyrosine

  • Molecular FormulaC27H27NO7
  • Average mass477.506 Da
  • Monoisotopic mass477.178741 Da
  • ChemSpider ID22874989

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Tyrosine, N-[2-[3-(1,1-dimethylethyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl]- [ACD/Index Name]
N-{[5-Methyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}-L-tyrosin [German] [ACD/IUPAC Name]
N-{[5-Methyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}-L-tyrosine [ACD/IUPAC Name]
N-{2-[5-Méthyl-3-(2-méthyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromén-6-yl]acétyl}-L-tyrosine [French] [ACD/IUPAC Name]
(2S)-2-[[2-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
(S)-2-(2-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(4-hydroxyphenyl)propanoic acid
956193-03-6 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 753.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 115.2±3.0 kJ/mol
    Flash Point: 409.3±32.9 °C
    Index of Refraction: 1.620
    Molar Refractivity: 127.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.82
    ACD/LogD (pH 5.5): 1.52
    ACD/BCF (pH 5.5): 2.12
    ACD/KOC (pH 5.5): 11.59
    ACD/LogD (pH 7.4): 0.36
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 126 Å2
    Polarizability: 50.6±0.5 10-24cm3
    Surface Tension: 56.2±3.0 dyne/cm
    Molar Volume: 363.8±3.0 cm3

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