ChemSpider 2D Image | (17beta)-3-Hydroxyestra-1(10),2,4-trien-17-yl methyl 2,3,4-tri-O-acetyl-beta-D-glucopyranosiduronate | C31H40O11

(17β)-3-Hydroxyestra-1(10),2,4-trien-17-yl methyl 2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate

  • Molecular FormulaC31H40O11
  • Average mass588.643 Da
  • Monoisotopic mass588.257080 Da
  • ChemSpider ID31046322

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(17β)-3-Hydroxyestra-1(10),2,4-trien-17-yl methyl 2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate [ACD/IUPAC Name]
(17β)-3-Hydroxyestra-1(10),2,4-trien-17-yl-methyl-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
2,3,4-Tri-O-acétyl-β-D-glucopyranosiduronate de (17β)-3-hydroxyestra-1(10),2,4-trién-17-yle et de méthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (17β)-3-hydroxyestra-1(10),2,4-trien-17-yl, methyl ester, triacetate [ACD/Index Name]
(17β)-3-Hydroxyestra-1,3,5(10)-trien-17-yl methyl 2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate
14364-66-0 [RN]
17?-Estradiol 17-?2,3,4-Tri-O-acetyl-?-D-glucuronide Methyl Ester?
17|A-Estradiol 17-(2,3,4-Tri-O-acetyl-|A-D-glucuronide Methyl Ester)
17b-Estradiol 17-(2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester)
17β-Estradiol 17-(2,3,4-Tri-O-acetyl-β-D-glucuronide Methyl Ester)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 652.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 203.2±25.0 °C
Index of Refraction: 1.569
Molar Refractivity: 146.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5458.48
ACD/KOC (pH 5.5): 16465.91
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5451.10
ACD/KOC (pH 7.4): 16443.67
Polar Surface Area: 144 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 447.3±5.0 cm3

Click to predict properties on the Chemicalize site


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