ChemSpider 2D Image | 1-O-[(2-{4-[(1E)-1-(4-Hydroxyphenyl)-2-phenyl-1-buten-1-yl]phenoxy}ethyl)amino]-alpha-L-glucopyranuronic acid | C30H33NO9

1-O-[(2-{4-[(1E)-1-(4-Hydroxyphenyl)-2-phenyl-1-buten-1-yl]phenoxy}ethyl)amino]-α-L-glucopyranuronic acid

  • Molecular FormulaC30H33NO9
  • Average mass551.584 Da
  • Monoisotopic mass551.215515 Da
  • ChemSpider ID35031850

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1-O-[(2-{4-[(1E)-1-(4-Hydroxyphenyl)-2-phenyl-1-buten-1-yl]phenoxy}ethyl)amino]-α-L-glucopyranuronic acid [ACD/IUPAC Name]
1-O-[(2-{4-[(1E)-1-(4-Hydroxyphenyl)-2-phenyl-1-buten-1-yl]phenoxy}ethyl)amino]-α-L-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-[(2-{4-[(1E)-1-(4-hydroxyphényl)-2-phényl-1-butén-1-yl]phénoxy}éthyl)amino]-α-L-glucopyranuronique [French] [ACD/IUPAC Name]
α-L-Glucopyranuronic acid, 1-O-[[2-[4-[(1E)-1-(4-hydroxyphenyl)-2-phenyl-1-buten-1-yl]phenoxy]ethyl]amino]- [ACD/Index Name]
(2R,3R,4R,5S)-3,4,5-trihydroxy-6-{[(2-{4-[(1E)-1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]oxy}oxane-2-carboxylic acid
4-Hydroxytamoxifen-N-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: 1.4±0.1 g/cm3
Boiling Point: 764.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 415.9±35.7 °C
Index of Refraction: 1.671
Molar Refractivity: 145.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.33
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 75.5±5.0 dyne/cm
Molar Volume: 389.6±5.0 cm3

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