2-({[(3α,5Beta,7Beta,17α,20S)-3,7-Dihydroxy-22,24-Cyclocholan-23-Yl]Carbonyl}Amino)Ethanesulfonic Acid

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Formula C27H47NO6S
IUPAC Name (1s,2r)-2-[(1r)-1-[(3r,5s,7s,8r,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethyl]-n-(2-sulfoethyl)cyclopropanecarboxamide
Molecular Mass 513.730 g·mol−1
Heat of Formation -1292.0 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 626.11 Å 3
Surface Area 483.97 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
InChIKey GVXYQXMZUGYSCA-IYEAHGOKSA-N
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