ChemSpider 2D Image | ({(Z)-[(6Z,16alpha,17beta)-3,16,17-Trihydroxyestra-1,3,5(10)-trien-6-ylidene]amino}oxy)acetic acid | C20H25NO6

({(Z)-[(6Z,16α,17β)-3,16,17-Trihydroxyestra-1,3,5(10)-trien-6-ylidene]amino}oxy)acetic acid

  • Molecular FormulaC20H25NO6
  • Average mass375.416 Da
  • Monoisotopic mass375.168182 Da
  • ChemSpider ID62904623

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

({(Z)-[(6Z,16α,17β)-3,16,17-Trihydroxyestra-1,3,5(10)-trien-6-yliden]amino}oxy)essigsäure [German] [ACD/IUPAC Name]
({(Z)-[(6Z,16α,17β)-3,16,17-Trihydroxyestra-1,3,5(10)-trien-6-ylidene]amino}oxy)acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[[[(6Z,16α,17β)-3,16,17-trihydroxyestra-1,3,5(10)-trien-6-ylidene]amino]oxy]- [ACD/Index Name]
Acide ({(Z)-[(6Z,16α,17β)-3,16,17-trihydroxyestra-1,3,5(10)-trién-6-ylidène]amino}oxy)acétique [French] [ACD/IUPAC Name]
37654-41-4 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 594.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 313.0±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 93.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 62.6±7.0 dyne/cm
Molar Volume: 242.5±7.0 cm3

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