ChemSpider 2D Image | 2-(4-{(1E)-1-[3-(beta-D-Glucopyranuronosyloxy)phenyl]-2-phenyl-1-buten-1-yl}phenoxy)-N,N-dimethylethanaminium | C32H37NO8

2-(4-{(1E)-1-[3-(β-D-Glucopyranuronosyloxy)phenyl]-2-phenyl-1-buten-1-yl}phenoxy)-N,N-dimethylethanaminium

  • Molecular FormulaC32H37NO8
  • Average mass563.638 Da
  • Monoisotopic mass563.251892 Da
  • ChemSpider ID31046631

  • 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-{(1E)-1-[3-(β-D-Glucopyranuronosyloxy)phenyl]-2-phenyl-1-buten-1-yl}phenoxy)-N,N-dimethylethanaminium [German] [ACD/IUPAC Name]
2-(4-{(1E)-1-[3-(β-D-Glucopyranuronosyloxy)phenyl]-2-phenyl-1-buten-1-yl}phenoxy)-N,N-dimethylethanaminium [ACD/IUPAC Name]
2-(4-{(1E)-1-[3-(β-D-Glucopyranuronosyloxy)phényl]-2-phényl-1-butén-1-yl}phénoxy)-N,N-diméthyléthanaminium [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 3-[(1E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl [ACD/Index Name]
(E)-3-Hydroxy Tamoxifen O-|A-D-Glucuronide
(E)-3-Hydroxy Tamoxifen O-b-D-Glucuronide
(E)-3-Hydroxy Tamoxifen O-β-D-Glucuronide
165460-33-3 [RN]
3-[(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:
Boiling Point: 742.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 403.0±32.9 °C
Index of Refraction:
Molar Refractivity:
#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): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.20
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.97
Polar Surface Area: 133 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement