4-Azidoestra-1,3,5(10)-Triene-3,17β-Diol

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Properties Simple | Detailed

Formula C18H23N3O2
IUPAC Name (8r,9s,13s,14s,17s)-4-azido-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 313.394 g·mol−1
Heat of Formation -90.9 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 377.18 Å 3
Surface Area 317.01 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-4-azido-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
  • 4-azidoestradiol
  • estra-1,3,5(10)-triene-3,17-diol, 4-azido-, (17beta)-
CAS Number(s)
  • 41164-45-8
InChIKey VUNFQFOBWPMCMM-ZHIYBZGJSA-N
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