ChemSpider 2D Image | Estradiol 3,17-Divalerate | C28H40O4

Estradiol 3,17-Divalerate

  • Molecular FormulaC28H40O4
  • Average mass440.615 Da
  • Monoisotopic mass440.292664 Da
  • ChemSpider ID18624225

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-Estra-1,3,5(10)-trien-3,17-diyl-dipentanoat [German] [ACD/IUPAC Name]
(17β)-Estra-1,3,5(10)-triene-3,17-diyl dipentanoate [ACD/IUPAC Name]
63042-28-4 [RN]
Dipentanoate de (17β)-estra-1,3,5(10)-triène-3,17-diyle [French] [ACD/IUPAC Name]
Estradiol 3,17-Divalerate
Pentanoic acid, (17β)-estra-1,3,5(10)-triene-3,17-diyl ester [ACD/Index Name]
(17b)-Estra-1,3,5(10)-triene-3,17-diol 3,17-dipentanoate
[(8R,9S,13S,14S,17S)-13-methyl-17-pentanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] pentanoate
[(8R,9S,13S,14S,17S)-13-methyl-3-pentanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
3,17??-bis-valeryloxy-estra-1,3,5(10)-triene
More...

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

EQ443E73KN [DBID]
UNII:EQ443E73KN [DBID]
UNII-EQ443E73KN [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: 534.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 260.1±28.5 °C
Index of Refraction: 1.543
Molar Refractivity: 126.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.29
ACD/LogD (pH 5.5): 7.33
ACD/BCF (pH 5.5): 220305.19
ACD/KOC (pH 5.5): 232333.72
ACD/LogD (pH 7.4): 7.33
ACD/BCF (pH 7.4): 220305.19
ACD/KOC (pH 7.4): 232333.72
Polar Surface Area: 53 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 400.2±5.0 cm3

Click to predict properties on the Chemicalize site


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