ChemSpider 2D Image | 4-[(1E)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl β-D-glucopyranosiduronic acid | C32H37NO8

4-[(1E)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC32H37NO8
  • Average mass563.638 Da
  • Monoisotopic mass563.251892 Da
  • ChemSpider ID57530363

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

152764-51-7 [RN]
4-[(1E)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl β-D-glucopyranosiduronic acid
4-[(1E)-1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenyl-1-buten-1-yl]phenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-[(1E)-1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenyl-1-buten-1-yl]phenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 4-[(1E)-1-{4-[2-(diméthylamino)éthoxy]phényl}-2-phényl-1-butén-1-yl]phényle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 4-[(1E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl [ACD/Index Name]
(E)-4-Hydroxy Tamoxifen O-β-D-Glucuronide
4-[(1E)-1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenyl β-D-glucopyranosiduronic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 749.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 407.1±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 154.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.37
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.13
Polar Surface Area: 129 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 437.0±3.0 cm3

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