ChemSpider 2D Image | 2,2,2-Trichloro-1-{[(17beta)-3-oxoestr-4-en-17-yl]oxy}ethyl 2-furoate | C25H29Cl3O5

2,2,2-Trichloro-1-{[(17β)-3-oxoestr-4-en-17-yl]oxy}ethyl 2-furoate

  • Molecular FormulaC25H29Cl3O5
  • Average mass515.854 Da
  • Monoisotopic mass514.108032 Da
  • ChemSpider ID218345

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

2,2,2-Trichlor-1-{[(17β)-3-oxoestr-4-en-17-yl]oxy}ethyl-2-furoat [German] [ACD/IUPAC Name]
2,2,2-Trichloro-1-{[(17β)-3-oxoestr-4-en-17-yl]oxy}ethyl 2-furoate [ACD/IUPAC Name]
2-Furancarboxylic acid, 2,2,2-trichloro-1-[[(17β)-3-oxoestr-4-en-17-yl]oxy]ethyl ester [ACD/Index Name]
2-Furoate de 2,2,2-trichloro-1-{[(17β)-3-oxoestr-4-én-17-yl]oxy}éthyle [French] [ACD/IUPAC Name]

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

NSC67645 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 638.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 339.8±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 126.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 80862.61
ACD/KOC (pH 5.5): 113382.46
ACD/LogD (pH 7.4): 6.76
ACD/BCF (pH 7.4): 80862.61
ACD/KOC (pH 7.4): 113382.46
Polar Surface Area: 66 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 377.3±5.0 cm3

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