({(Z)-[(8Xi,9Xi,14Xi,17Z)-3,4-Dihydroxyestra-1(10),2,4-Trien-17-Ylidene]Amino}Oxy)Acetic Acid

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Properties Simple | Detailed

Formula C20H25NO5
IUPAC Name 2-[(z)-[(8r,9r,13s,14r)-3,4-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-ylidene]amino]oxyacetic acid
Molecular Mass 359.416 g·mol−1
Heat of Formation -755.0 ± 16.7 kJ·mol−1
Dipole Moment 0.90 ± 1.08 D
Volume 418.36 Å 3
Surface Area 343.12 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
InChIKey HTFIQHHFZAZCRJ-PAKIUWKLSA-N
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