ChemSpider 2D Image | 2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl 6-[(tert-butoxycarbonyl)amino]hexanoate | C26H29NO10

2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl 6-[(tert-butoxycarbonyl)amino]hexanoate

  • Molecular FormulaC26H29NO10
  • Average mass515.509 Da
  • Monoisotopic mass515.179138 Da
  • ChemSpider ID17260693

More details:

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

2-Hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl 6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexanoate [ACD/IUPAC Name]
2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl 6-[(tert-butoxycarbonyl)amino]hexanoate
2-Hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexanoat [German] [ACD/IUPAC Name]
6-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)hexanoate de 2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromén-2-yl)phényle [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-, 2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl ester [ACD/Index Name]
3'-[6-(boc-amino)hexanoic acid] quercetin ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 746.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 405.5±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 129.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 246.68
ACD/KOC (pH 5.5): 1705.25
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 11.72
ACD/KOC (pH 7.4): 81.00
Polar Surface Area: 172 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 368.1±3.0 cm3

Click to predict properties on the Chemicalize site


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