ChemSpider 2D Image | Estriol 3-succinate | C22H28O6

Estriol 3-succinate

  • Molecular FormulaC22H28O6
  • Average mass388.454 Da
  • Monoisotopic mass388.188599 Da
  • ChemSpider ID29789726

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

4-{[(16α,17β)-16,17-Dihydroxyestra-1,3,5(10)-trien-3-yl]oxy}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{[(16α,17β)-16,17-Dihydroxyestra-1,3,5(10)-trien-3-yl]oxy}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{[(16α,17β)-16,17-dihydroxyestra-1,3,5(10)-trién-3-yl]oxy}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(16α,17β)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl] ester [ACD/Index Name]
Estriol 3-succinate
(16a,17b)-Estra-1,3,5(10)-triene-3,16,17-triol 1-(hydrogen butanedioate)
4-[[(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
47575-61-1 [RN]
514-68-1 [RN]
estriol succinate [INN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 592.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 206.2±23.6 °C
Index of Refraction: 1.600
Molar Refractivity: 101.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 3.67
ACD/KOC (pH 5.5): 40.38
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 296.5±3.0 cm3

Click to predict properties on the Chemicalize site


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