ChemSpider 2D Image | (9beta,16alpha,17beta)-16-Hydroxyestra-1(10),2,4-triene-3,17-diyl dihexanoate | C30H44O5

(9β,16α,17β)-16-Hydroxyestra-1(10),2,4-triene-3,17-diyl dihexanoate

  • Molecular FormulaC30H44O5
  • Average mass484.667 Da
  • Monoisotopic mass484.318878 Da
  • ChemSpider ID127384142

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(9β,16α,17β)-16-Hydroxyestra-1(10),2,4-trien-3,17-diyl-dihexanoat [German] [ACD/IUPAC Name]
(9β,16α,17β)-16-Hydroxyestra-1(10),2,4-triene-3,17-diyl dihexanoate [ACD/IUPAC Name]
Dihexanoate de (9β,16α,17β)-16-hydroxyestra-1(10),2,4-triène-3,17-diyle [French] [ACD/IUPAC Name]
Hexanoic acid, (9β,16α,17β)-16-hydroxyestra-1(10),2,4-triene-3,17-diyl ester [ACD/Index Name]
[(8R,9S,13S,14S,16R,17R)-3-hexanoyloxy-16-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate
104202-96-2 [RN]
estriol 3,17-dihexanoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 582.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 181.4±23.6 °C
Index of Refraction: 1.549
Molar Refractivity: 136.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 7.52
ACD/BCF (pH 5.5): 304884.03
ACD/KOC (pH 5.5): 293168.81
ACD/LogD (pH 7.4): 7.52
ACD/BCF (pH 7.4): 304884.03
ACD/KOC (pH 7.4): 293168.81
Polar Surface Area: 73 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 430.3±5.0 cm3

Click to predict properties on the Chemicalize site


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