ChemSpider 2D Image | [(2-{4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy}ethyl)(methyl)amino]methyl beta-D-glucopyranosiduronic acid | C32H37NO8

[(2-{4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy}ethyl)(methyl)amino]methyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC32H37NO8
  • Average mass563.638 Da
  • Monoisotopic mass563.251892 Da
  • ChemSpider ID30778593
  • 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

[(2-{4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy}ethyl)(methyl)amino]methyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
[(2-{4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy}ethyl)(methyl)amino]methyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de [(2-{4-[(1Z)-1,2-diphényl-1-butén-1-yl]phénoxy}éthyl)(méthyl)amino]méthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, [[2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]ethyl]methylamino]methyl [ACD/Index Name]
(2S,3S,4S,5R,6S)-6-{[(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)(methyl)amino]methoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
α-Hydroxy-tamoxifen-O-glucuronide

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 738.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 400.4±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 153.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 6.79
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 423.8±5.0 cm3

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