ChemSpider 2D Image | (8xi,9xi,14xi)-17-Oxoestra-1(10),2,4-trien-3-yl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside | C32H40O11

(8ξ,9ξ,14ξ)-17-Oxoestra-1(10),2,4-trien-3-yl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC32H40O11
  • Average mass600.653 Da
  • Monoisotopic mass600.257080 Da
  • ChemSpider ID26594301
  • defined stereocentres - 6 of 9 defined stereocentres


More details:






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

(8ξ,9ξ,14ξ)-17-Oxoestra-1(10),2,4-trien-3-yl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
(8ξ,9ξ,14ξ)-17-Oxoestra-1(10),2,4-trien-3-yl-2,3,4,6-tetra-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2,3,4,6-Tétra-O-acétyl-β-D-glucopyranoside de (8ξ,9ξ,14ξ)-17-oxoestra-1(10),2,4-trién-3-yle [French] [ACD/IUPAC Name]
Estra-1(10),2,4-trien-17-one, 3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-, (8ξ,9ξ,14ξ)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 672.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 278.9±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1117.49
ACD/KOC (pH 5.5): 5290.92
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1117.49
ACD/KOC (pH 7.4): 5290.92
Polar Surface Area: 141 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 462.2±5.0 cm3

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