((((17β)-3,17-Dihydroxyestra-1,3,5(10)-Trien-6-Ylidene)Amino)Oxy)Acetic Acid

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Formula C20H25NO5
IUPAC Name 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
Molecular Mass 359.416 g·mol−1
Heat of Formation -754.3 ± 16.7 kJ·mol−1
Dipole Moment 0.88 ± 1.08 D
Volume 426.8 Å 3
Surface Area 358.44 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 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
  • 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]oxyethanoic acid
  • eco
  • estradiol-6 carboxyl-methyl-oxime
InChIKey AWARIMYXKAIIGO-FIIMHDCBSA-N
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