ChemSpider 2D Image | (17beta)-17-Hydroxyestra-1,3,5(10)-trien-3-yl valerate | C23H32O3

(17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl valerate

  • Molecular FormulaC23H32O3
  • Average mass356.498 Da
  • Monoisotopic mass356.235138 Da
  • ChemSpider ID18538266

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl valerate [ACD/IUPAC Name]
(17β)-17-Hydroxyestra-1,3,5(10)-trien-3-ylvalerat [German] [ACD/IUPAC Name]
21881-45-8 [RN]
Pentanoic acid, (17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl ester [ACD/Index Name]
Valérate de (17β)-17-hydroxyestra-1,3,5(10)-trién-3-yle [French] [ACD/IUPAC Name]
[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] pentanoate
17b-Estradiol diacetate|Estradiol diacetate
17β-Hydroxyestra-1,3,5(10)-trien-3-yl Pentanoate
17β-Hydroxyestra-1,3,5(10)-trien-3-yl Pentanoate (Estradiol 3-Valerate)
3,17b-Diacetoxyestra-1,3,5(10)-triene
More...

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

W8Z1P0RYK2 [DBID]
10392-35-5 979-32-8 [DBID]
UNII:W8Z1P0RYK2 [DBID]
UNII-W8Z1P0RYK2 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 490.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 193.3±21.5 °C
Index of Refraction: 1.553
Molar Refractivity: 102.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3267.65
ACD/KOC (pH 5.5): 11404.72
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3267.65
ACD/KOC (pH 7.4): 11404.72
Polar Surface Area: 47 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 321.4±3.0 cm3

Click to predict properties on the Chemicalize site


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