ChemSpider 2D Image | (1alpha,2alpha,3alpha,5alpha,6alpha,7alpha,12alpha,17beta)-5-Hydroxy-17-{(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-2,3:6,7-diepoxyandrostane-1,12-diyl diacetate | C32H44O10

(1α,2α,3α,5α,6α,7α,12α,17β)-5-Hydroxy-17-{(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-2,3:6,7-diepoxyandrostane-1,12-diyl diacetate

  • Molecular FormulaC32H44O10
  • Average mass588.686 Da
  • Monoisotopic mass588.293457 Da
  • ChemSpider ID17238895

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1α,2α,3α,5α,6α,7α,12α,17β)-5-Hydroxy-17-{(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-2,3:6,7-diepoxyandrostan-1,12-diyl-diacetat [German] [ACD/IUPAC Name]
(1α,2α,3α,5α,6α,7α,12α,17β)-5-Hydroxy-17-{(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-2,3:6,7-diepoxyandrostane-1,12-diyl diacetate [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[(1S)-1-[(1α,2α,3α,5α,6α,7α,12α,17β)-1,12-bis(acetyloxy)-2,3:6,7-diepoxy-5-hydroxyandrostan-17-yl]ethyl]-5,6-dihydro-3-(hydroxymethyl)-4-methyl-, (6R)- [ACD/Index Name]
Diacétate de (1α,2α,3α,5α,6α,7α,12α,17β)-5-hydroxy-17-{(1S)-1-[(2R)-5-(hydroxyméthyl)-4-méthyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]éthyl}-2,3:6,7-diépoxyandrostane-1,12-diyl
 e [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 718.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.9±6.0 kJ/mol
Flash Point: 227.8±26.4 °C
Index of Refraction: 1.590
Molar Refractivity: 147.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 186.68
ACD/KOC (pH 5.5): 1469.82
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 186.68
ACD/KOC (pH 7.4): 1469.82
Polar Surface Area: 144 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 436.2±5.0 cm3

Click to predict properties on the Chemicalize site


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