ChemSpider 2D Image | Propyl 4-({5-hydroxy-7-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanyl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate | C27H29NO10

Propyl 4-({5-hydroxy-7-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanyl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate

  • Molecular FormulaC27H29NO10
  • Average mass527.520 Da
  • Monoisotopic mass527.179138 Da
  • ChemSpider ID21834898

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-({5-Hydroxy-7-[(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-alanyl)oxy]-4-oxo-4H-chromén-3-yl}oxy)benzoate de propyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[7-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxopropoxy]-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy]-, propyl ester [ACD/Index Name]
Propyl 4-({5-hydroxy-7-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanyl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate [ACD/IUPAC Name]
Propyl-4-({5-hydroxy-7-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanyl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoat [German] [ACD/IUPAC Name]
(S)-propyl 4-((7-((2-((tert-butoxycarbonyl)amino)propanoyl)oxy)-5-hydroxy-4-oxo-4H-chromen-3-yl)oxy)benzoate
243657-57-0 [RN]
4-[7-(2-tert-Butoxycarbonylamino-propionyloxy)-5-hydroxy-4-oxo-4H-chromen-3-yloxy]-benzoic acid propyl ester
5-hydroxy-4-oxo-3-[4-(propoxycarbonyl)phenoxy]chromen-7-yl (2S)-2-[(tert-butoxy)carbonylamino]propanoate
PROPYL 4-[(7-{[(2S)-2-[(TERT-BUTOXYCARBONYL)AMINO]PROPANOYL]OXY}-5-HYDROXY-4-OXOCHROMEN-3-YL)OXY]BENZOATE
PROPYL 4-[(7-{[(2S)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}PROPANOYL]OXY}-5-HYDROXY-4-OXO-4H-CHROMEN-3-YL)OXY]BENZOATE
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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: 683.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.8±3.0 kJ/mol
    Flash Point: 367.1±31.5 °C
    Index of Refraction: 1.576
    Molar Refractivity: 133.4±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 3
    ACD/LogP: 6.49
    ACD/LogD (pH 5.5): 4.93
    ACD/BCF (pH 5.5): 2678.51
    ACD/KOC (pH 5.5): 7780.15
    ACD/LogD (pH 7.4): 3.30
    ACD/BCF (pH 7.4): 62.82
    ACD/KOC (pH 7.4): 182.48
    Polar Surface Area: 147 Å2
    Polarizability: 52.9±0.5 10-24cm3
    Surface Tension: 52.9±3.0 dyne/cm
    Molar Volume: 403.3±3.0 cm3

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