ChemSpider 2D Image | (13xi)-17-Oxoestra-1(10),2,4-trien-3-yl beta-D-glucopyranoside | C24H32O7

(13ξ)-17-Oxoestra-1(10),2,4-trien-3-yl β-D-glucopyranoside

  • Molecular FormulaC24H32O7
  • Average mass432.507 Da
  • Monoisotopic mass432.214813 Da
  • ChemSpider ID58816911

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(13ξ)-17-Oxoestra-1(10),2,4-trien-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(13ξ)-17-Oxoestra-1(10),2,4-trien-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Estra-1(10),2,4-trien-17-one, 3-(β-D-glucopyranosyloxy)-, (13ξ)- [ACD/Index Name]
β-D-Glucopyranoside de (13ξ)-17-oxoestra-1(10),2,4-trién-3-yle [French] [ACD/IUPAC Name]
25591-03-1 [RN]
Estrone glucoside

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

Density: 1.3±0.1 g/cm3
Boiling Point: 662.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 227.8±25.0 °C
Index of Refraction: 1.614
Molar Refractivity: 111.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.53
ACD/KOC (pH 5.5): 85.90
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.53
ACD/KOC (pH 7.4): 85.90
Polar Surface Area: 116 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 320.8±3.0 cm3

Click to predict properties on the Chemicalize site


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