(17β)-2-Methoxyestra-1(10),2,4-Triene-3,17-Diyl Disulfamate

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Properties Simple | Detailed

Formula C19H28N2O7S2
IUPAC Name [(8r,9s,13s,14s,17s)-2-methoxy-13-methyl-3-sulfamoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] sulfamate
Molecular Mass 460.565 g·mol−1
Heat of Formation -1179.2 ± 16.7 kJ·mol−1
Dipole Moment 7.14 ± 1.08 D
Volume 505.61 Å 3
Surface Area 417.35 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • po1
  • sulfamic acid [(8r,9s,13s,14s,17s)-2-methoxy-13-methyl-3-sulfamoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
InChIKey AQSNIXKAKUZPSI-SSTWWWIQSA-N
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