ChemSpider 2D Image | Estradiol 6-(O-carboxymethyl)oxime | C20H25NO5

Estradiol 6-(O-carboxymethyl)oxime

  • Molecular FormulaC20H25NO5
  • Average mass359.416 Da
  • Monoisotopic mass359.173279 Da
  • ChemSpider ID23621127

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

({[(17β)-3,17-Dihydroxyestra-1,3,5(10)-trien-6-yliden]amino}oxy)essigsäure [German] [ACD/IUPAC Name]
({[(17β)-3,17-Dihydroxyestra-1,3,5(10)-trien-6-ylidene]amino}oxy)acetic acid [ACD/IUPAC Name]
35048-47-6 [RN]
Acetic acid, 2-[[[(17β)-3,17-dihydroxyestra-1,3,5(10)-trien-6-ylidene]amino]oxy]- [ACD/Index Name]
Acide ({[(17β)-3,17-dihydroxyestra-1,3,5(10)-trién-6-ylidène]amino}oxy)acétique [French] [ACD/IUPAC Name]
Estradiol 6-(O-carboxymethyl)oxime
((((17β)-3,17-DIHYDROXYESTRA-1,3,5(10)-TRIEN-6-YLIDENE)AMINO)OXY)- ACETIC ACID
??-Estradiol-6-one 6-(O-carboxymethyloxime)
2-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]oxyacetic acid
2-[[(8R,9S,13S,14S,17S)-3,17-Dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]oxyacetic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 572.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 300.1±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: 2.31
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.88
ACD/LogD (pH 7.4): -1.26
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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