ChemSpider 2D Image | ({(Z)-[(8xi,9xi,14xi,17Z)-3,4-Dihydroxyestra-1(10),2,4-trien-17-ylidene]amino}oxy)acetic acid | C20H25NO5

({(Z)-[(8ξ,9ξ,14ξ,17Z)-3,4-Dihydroxyestra-1(10),2,4-trien-17-ylidene]amino}oxy)acetic acid

  • Molecular FormulaC20H25NO5
  • Average mass359.416 Da
  • Monoisotopic mass359.173279 Da
  • ChemSpider ID25995589

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

({(Z)-[(8ξ,9ξ,14ξ,17Z)-3,4-Dihydroxyestra-1(10),2,4-trien-17-yliden]amino}oxy)essigsäure [German] [ACD/IUPAC Name]
({(Z)-[(8ξ,9ξ,14ξ,17Z)-3,4-Dihydroxyestra-1(10),2,4-trien-17-ylidene]amino}oxy)acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[[[(8ξ,9ξ,14ξ,17Z)-3,4-dihydroxyestra-1(10),2,4-trien-17-ylidene]amino]oxy]- [ACD/Index Name]
Acide ({(Z)-[(8ξ,9ξ,14ξ,17Z)-3,4-dihydroxyestra-1(10),2,4-trién-17-ylidène]amino}oxy)acétique [French] [ACD/IUPAC Name]
2-[[(13S)-3,4-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]amino]oxyacetic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 570.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 298.8±32.9 °C
Index of Refraction: 1.680
Molar Refractivity: 92.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 8.65
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 245.2±7.0 cm3

Click to predict properties on the Chemicalize site


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