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

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

  • Molecular FormulaC27H29NO10
  • Average mass527.520 Da
  • Monoisotopic mass527.179138 Da
  • ChemSpider ID4745653

More details:

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

4-({5-Hydroxy-7-[(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}alanyl)oxy]-4-oxo-4H-chromén-3-yl}oxy)benzoate de propyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[7-[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}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}alanyl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoat [German] [ACD/IUPAC Name]
PROPYL 4-({7-[(2-{[(TERT-BUTOXY)CARBONYL]AMINO}PROPANOYL)OXY]-5-HYDROXY-4-OXO-4H-CHROMEN-3-YL}OXY)BENZOATE
propyl 4-[(7-{[N-(tert-butoxycarbonyl)alanyl]oxy}-5-hydroxy-4-oxo-4H-chromen-3-yl)oxy]benzoate
PROPYL 4-{[7-({2-[(TERT-BUTOXYCARBONYL)AMINO]PROPANOYL}OXY)-5-HYDROXY-4-OXOCHROMEN-3-YL]OXY}BENZOATE

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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