ChemSpider 2D Image | (17beta)-Estra-1,3,5(10)-triene-3,17-diyl bis(10-undecenoate) | C40H60O4

(17β)-Estra-1,3,5(10)-triene-3,17-diyl bis(10-undecenoate)

  • Molecular FormulaC40H60O4
  • Average mass604.902 Da
  • Monoisotopic mass604.449158 Da
  • ChemSpider ID112392
  • 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-bis(10-undecenoat) [German] [ACD/IUPAC Name]
(17β)-Estra-1,3,5(10)-triene-3,17-diyl bis(10-undecenoate) [ACD/IUPAC Name]
10-Undecenoic acid, (17β)-estra-1,3,5(10)-triene-3,17-diyl ester [ACD/Index Name]
Bis(10-undécénoate) de (17β)-estra-1,3,5(10)-triène-3,17-diyle [French] [ACD/IUPAC Name]
(1S,10R,11S,14S,15S)-15-METHYL-5-(UNDEC-10-ENOYLOXY)TETRACYCLO[8.7.0.0ì,?.0––,–?]HEPTADECA-2,4,6-TRIEN-14-YL UNDEC-10-ENOATE
74798-17-7 [RN]
Estra-1,3,5(10)-triene-3,17-diol (17β)-, di-10-undecenoate
Estra-1,3,5(10)-triene-3,17β-diol di-10-undecenoate
Estrosteron
Etrosteron

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 674.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 327.8±29.9 °C
Index of Refraction: 1.533
Molar Refractivity: 181.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 13.64
ACD/LogD (pH 5.5): 12.04
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.04
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 583.6±5.0 cm3

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