ChemSpider 2D Image | (Z)-diethylstilbestrol monoglucuronide | C24H28O8

(Z)-diethylstilbestrol monoglucuronide

  • Molecular FormulaC24H28O8
  • Average mass444.474 Da
  • Monoisotopic mass444.178406 Da
  • ChemSpider ID52084162

  • 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

(Z)-diethylstilbestrol monoglucuronide
4-[(3Z)-4-(4-Hydroxyphenyl)-3-hexen-3-yl]phenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-[(3Z)-4-(4-Hydroxyphenyl)-3-hexen-3-yl]phenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
69684-32-8 [RN]
Acide β-D-glucopyranosiduronique de 4-[(3Z)-4-(4-hydroxyphényl)-3-hexén-3-yl]phényle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 4-[(1Z)-1-ethyl-2-(4-hydroxyphenyl)-1-buten-1-yl]phenyl [ACD/Index Name]
DIETHYLSTILBESTROL MONOGLUCURONIDE, (Z)-

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

9H5TJP794G [DBID]
UNII:9H5TJP794G [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 683.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 233.5±25.0 °C
Index of Refraction: 1.640
Molar Refractivity: 116.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.41
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 324.6±3.0 cm3

Click to predict properties on the Chemicalize site


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