ChemSpider 2D Image | N-{[5,9-Dimethyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}glycyl-L-valine | C26H32N2O7

N-{[5,9-Dimethyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}glycyl-L-valine

  • Molecular FormulaC26H32N2O7
  • Average mass484.542 Da
  • Monoisotopic mass484.220947 Da
  • ChemSpider ID22875321

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Valine, N-[2-[3-(1,1-dimethylethyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl]glycyl- [ACD/Index Name]
N-{[5,9-Dimethyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}glycyl-L-valin [German] [ACD/IUPAC Name]
N-{[5,9-Dimethyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}glycyl-L-valine [ACD/IUPAC Name]
N-{2-[5,9-Diméthyl-3-(2-méthyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromén-6-yl]acétyl}glycyl-L-valine [French] [ACD/IUPAC Name]
(2S)-2-[[2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]acetyl]amino]-3-methylbutanoic acid
(S)-2-(2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)acetamido)-3-methylbutanoic acid
956382-94-8 [RN]
AC1LWOE2
AO-022/43454063
MCULE-2791717223
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 762.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 116.6±3.0 kJ/mol
    Flash Point: 415.2±32.9 °C
    Index of Refraction: 1.566
    Molar Refractivity: 128.3±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 4.86
    ACD/LogD (pH 5.5): 1.46
    ACD/BCF (pH 5.5): 2.06
    ACD/KOC (pH 5.5): 12.45
    ACD/LogD (pH 7.4): 0.19
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 135 Å2
    Polarizability: 50.9±0.5 10-24cm3
    Surface Tension: 48.3±3.0 dyne/cm
    Molar Volume: 393.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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