ChemSpider 2D Image | estradiol 17-?-butyrylacetate | C24H32O4

estradiol 17-?-butyrylacetate

  • Molecular FormulaC24H32O4
  • Average mass384.509 Da
  • Monoisotopic mass384.230072 Da
  • ChemSpider ID52084153

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-3-Hydroxyestra-1,3,5(10)-trien-17-yl 3-oxohexanoate [ACD/IUPAC Name]
(17β)-3-Hydroxyestra-1,3,5(10)-trien-17-yl-3-oxohexanoat [German] [ACD/IUPAC Name]
247-791-0 [EINECS]
3-Oxohexanoate de (17β)-3-hydroxyestra-1,3,5(10)-trién-17-yle [French] [ACD/IUPAC Name]
60883-80-9 [RN]
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(3-oxohexanoate)
estradiol 17-?-butyrylacetate
Hexanoic acid, 3-oxo-, (17β)-3-hydroxyestra-1,3,5(10)-trien-17-yl ester [ACD/Index Name]
ESTRADIOL 17-β-BUTYRYLACETATE

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

6ADI485E6C [DBID]
UNII:6ADI485E6C [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: 527.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 176.7±23.6 °C
Index of Refraction: 1.571
Molar Refractivity: 107.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3075.37
ACD/KOC (pH 5.5): 10920.14
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3068.31
ACD/KOC (pH 7.4): 10895.08
Polar Surface Area: 64 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 327.0±5.0 cm3

Click to predict properties on the Chemicalize site


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