ChemSpider 2D Image | 3-hydroxyestra-1,3,5(10),9(11)-tetraen-17?-yl pentanoate | C23H30O3

3-hydroxyestra-1,3,5(10),9(11)-tetraen-17?-yl pentanoate

  • Molecular FormulaC23H30O3
  • Average mass354.483 Da
  • Monoisotopic mass354.219482 Da
  • ChemSpider ID27524373

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(17β)-3-Hydroxyestra-1(10),2,4,9(11)-tetraen-17-yl valerate [ACD/IUPAC Name]
(17β)-3-Hydroxyestra-1(10),2,4,9(11)-tetraen-17-ylvalerat [German] [ACD/IUPAC Name]
3-hydroxyestra-1,3,5(10),9(11)-tetraen-17?-yl pentanoate
95959-20-9 [RN]
Pentanoic acid, (17β)-3-hydroxyestra-1(10),2,4,9(11)-tetraen-17-yl ester [ACD/Index Name]
Valérate de (17β)-3-hydroxyestra-1(10),2,4,9(11)-tétraén-17-yle [French] [ACD/IUPAC Name]
[(8S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate
3-Hydroxyestra-1,3,5(10),9(11)-tetraen-17β-yl Pentanoate
3-HYDROXYESTRA-1,3,5(10),9(11)-TETRAEN-17β-YL PENTANOATE
3-Hydroxyestra-1,3,5(10),9(11)-tetraen-17β-yl Pentanoate (9,11-Didehydroestradiol Valerate)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

67MH38V5WN [DBID]
UNII:67MH38V5WN [DBID]
UNII-67MH38V5WN [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 502.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 199.8±22.9 °C
Index of Refraction: 1.582
Molar Refractivity: 102.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6197.16
ACD/KOC (pH 5.5): 18031.92
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6190.57
ACD/KOC (pH 7.4): 18012.71
Polar Surface Area: 47 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 306.5±5.0 cm3

Click to predict properties on the Chemicalize site


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