ChemSpider 2D Image | (5R)-5-{4-[2-(1-Piperidinyl)ethoxy]phenyl}-5,11-dihydrochromeno[4,3-c]chromene-2,8-diyl bis(2,2-dimethylpropanoate) | C39H45NO7

(5R)-5-{4-[2-(1-Piperidinyl)ethoxy]phenyl}-5,11-dihydrochromeno[4,3-c]chromene-2,8-diyl bis(2,2-dimethylpropanoate)

  • Molecular FormulaC39H45NO7
  • Average mass639.777 Da
  • Monoisotopic mass639.319580 Da
  • ChemSpider ID8394345

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-5-{4-[2-(1-Piperidinyl)ethoxy]phenyl}-5,11-dihydrochromeno[4,3-c]chromen-2,8-diyl-bis(2,2-dimethylpropanoat) [German] [ACD/IUPAC Name]
(5R)-5-{4-[2-(1-Piperidinyl)ethoxy]phenyl}-5,11-dihydrochromeno[4,3-c]chromene-2,8-diyl bis(2,2-dimethylpropanoate) [ACD/IUPAC Name]
(5R)-5-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-5,11-dihydrochromeno[4,3-c]chromene-2,8-diyl bis(2,2-dimethylpropanoate)
Bis(2,2-diméthylpropanoate) de (5R)-5-{4-[2-(1-pipéridinyl)éthoxy]phényl}-5,11-dihydrochroméno[4,3-c]chromène-2,8-diyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, (5R)-5,11-dihydro-5-[4-[2-(1-piperidinyl)ethoxy]phenyl][1]benzopyrano[4,3-c][1]benzopyran-2,8-diyl ester [ACD/Index Name]
2,2-dimethyl-propionic acid (R)-8-(2,2-dimethyl-propionyloxy)-11-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-5,11-dihydro-chromeno[4,3-c]chromen-2-yl ester
CHEMBL207362

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

Density: 1.2±0.1 g/cm3
Boiling Point: 736.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.0±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 179.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.81
ACD/LogD (pH 5.5): 5.56
ACD/BCF (pH 5.5): 2076.12
ACD/KOC (pH 5.5): 1305.30
ACD/LogD (pH 7.4): 7.12
ACD/BCF (pH 7.4): 75907.77
ACD/KOC (pH 7.4): 47724.88
Polar Surface Area: 84 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 514.8±5.0 cm3

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